4-(Heptyloxy)phenol - CAS 13037-86-0

Name: 4-(Heptyloxy)phenol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	4-heptoxyphenol
Description:	AC 45594 is a selective inverse agonist at the orphan nuclear receptor steroidogenic factor-1 (SF-1) (IC50 = 50 - 100 nM) that increases the secretion of progesterone and oxytocin and the expression of oxytocin precursor (NP-I/OT) mRNA in luteal cells.
Molecular Weight:	208.30
Molecular Formula:	C13H20O2
Canonical SMILES:	CCCCCCCOC1=CC=C(C=C1)O
InChI:	InChI=1S/C13H20O2/c1-2-3-4-5-6-11-15-13-9-7-12(14)8-10-13/h7-10,14H,2-6,11H2,1H3
InChI Key:	HZBABTUFXQLADL-UHFFFAOYSA-N
Boiling Point:	325.3 °C at 760 mmHg
Purity:	> 98 %
Density:	0.987 g/cm³
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD00002338
LogP:	3.74140

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-113265270-A	Boiling bed residual oil hydrogenation process and boiling bed residual oil hydrogenation device	20210521
CN-113092782-A	Method for screening chemical nuclear receptor activity based on Alpha technology high-throughput and multi-target	20210331
JP-2021154560-A	Thermal discoloration writing tool	20200326
JP-2021107543-A	A cursive set that includes a thermochromic ink composition, a built-in thermochromic cursive and refill for drafts, and a thermochromic cursive for drafts.	20191227
JP-2021095567-A	Photocurable material composition and cured product of photocurable material composition and method for producing the same	20191213

PMID	Publication Date	Title	Journal
25349334	20150201	Human sex hormone-binding globulin binding affinities of 125 structurally diverse chemicals and comparison with their binding to androgen receptor, estrogen receptor, and α-fetoprotein	Toxicological sciences : an official journal of the Society of Toxicology
23481593	20130401	The expression of Steroidogenic Factor-1 and its role in bovine steroidogenic ovarian cells during the estrus cycle and first trimester of pregnancy	Animal reproduction science
22820428	20120903	Relative embryotoxic potency of p-substituted phenols in the embryonic stem cell test (EST) and comparison to their toxic potency in vivo and in the whole embryo culture (WEC) assay	Toxicology letters
21391689	20110414	Small molecule agonists of the orphan nuclear receptors steroidogenic factor-1 (SF-1, NR5A1) and liver receptor homologue-1 (LRH-1, NR5A2)	Journal of medicinal chemistry
21217882	20100901	Various aspects of piscine toxicology	Interdisciplinary toxicology

Complexity:	140
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	208.146329876
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	208.146329876
Rotatable Bond Count:	7
Topological Polar Surface Area:	29.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.6