1-Benzhydrylazetan-3-ol - CAS 18621-17-5

Catalog:	BB014283
Product Name:	1-Benzhydrylazetan-3-ol
CAS:	18621-17-5
Synonyms:	1-(diphenylmethyl)-3-azetidinol; 1-benzhydrylazetidin-3-ol

Technical Data

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Computed Properties

IUPAC Name:	1-benzhydrylazetidin-3-ol
Description:	1-Benzhydrylazetan-3-ol (CAS# 18621-17-5) is used to identify inhibitors of CYP 3A4.
Molecular Weight:	239.31
Molecular Formula:	C16H17NO
Canonical SMILES:	C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)O
InChI:	InChI=1S/C16H17NO/c18-15-11-17(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16,18H,11-12H2
InChI Key:	MMAJXKGUZYDTHV-UHFFFAOYSA-N
Boiling Point:	353.8 °C at 760 mmHg
Density:	1.189 g/cm³
MDL:	MFCD00205109
LogP:	2.39040

Publication Number	Title	Priority Date
WO-2021115560-A1	New fyn and vegfr2 kinase inhibitors	20191209
WO-2021116005-A1	New fyn and vegfr2 kinase inhibitors	20191209
CN-110724026-A	In-situ deoxygenation fluorination synthesis method based on alcohol compound and 18F radioactive labeling method	20191118
CN-110437118-A	The preparation method of azaheterocyclic carboxylic acid intermediate and azetidine -3- carboxylic acid	20190820
WO-2020228756-A1	Inhibitor containing bicyclic derivative, preparation method therefor and use thereof	20190514

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GHS Hazard Statement:	H314 (88.64%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	232
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	239.131014166
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	239.131014166
Rotatable Bond Count:	3
Topological Polar Surface Area:	23.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6