1-Adamantaneacetyl Chloride - CAS 19835-38-2

Catalog:	BB015335
Product Name:	1-Adamantaneacetyl Chloride
CAS:	19835-38-2
Synonyms:	2-(1-adamantyl)acetyl chloride; 2-(1-adamantyl)acetyl chloride

Technical Data

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Computed Properties

IUPAC Name:	2-(1-adamantyl)acetyl chloride
Description:	1-Adamantaneacetyl Chloride (CAS# 19835-38-2) is a potent human 11β-hydroxysteroid dehydrogenase type 1 inhibitor.
Molecular Weight:	212.72
Molecular Formula:	C12H17ClO
Canonical SMILES:	C1C2CC3CC1CC(C2)(C3)CC(=O)Cl
InChI:	InChI=1S/C12H17ClO/c13-11(14)7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2
InChI Key:	HLQSEJBREPQBRW-UHFFFAOYSA-N
Boiling Point:	281.1 °C at 760 mmHg
Density:	1.179 g/cm³
MDL:	MFCD00277670
LogP:	3.35830

Publication Number	Title	Priority Date
CN-112442010-A	Prodrug compound and application thereof in treating cancer	20190830
WO-2021037183-A1	Prodrug compounds and uses thereof for treatment of cancer	20190830
EP-3901147-A1	Acylamino bridged heterocyclic compound, and composition and application thereof	20190125
CN-111378140-A	Force-induced response supramolecular polymer	20190101
CN-111378143-A	Energy absorption method based on force-induced response supramolecular polymer	20190101

PMID	Publication Date	Title	Journal
21866101	20110824	Small molecule inhibitors reveal Niemann-Pick C1 is essential for Ebola virus infection	Nature

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Complexity:	230
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	212.0967929
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	212.0967929
Rotatable Bond Count:	2
Topological Polar Surface Area:	17.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.2