9-Bromo-3-(2-bromoacetyl)-10,11-dihydro-5H-dibenzo[c,g]chromen-8(9H)-one - CAS 1438383-89-1

Name: 9-Bromo-3-(2-bromoacetyl)-10,11-dihydro-5H-dibenzo[c,g]chromen-8(9H)-one
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB009677
Product Name:	9-Bromo-3-(2-bromoacetyl)-10,11-dihydro-5H-dibenzo[c,g]chromen-8(9H)-one
CAS:	1438383-89-1
Synonyms:	9-bromo-3-(2-bromo-1-oxoethyl)-5,9,10,11-tetrahydronaphtho[7,6-c][2]benzopyran-8-one; 9-bromo-3-(2-bromoacetyl)-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one

Technical Data

IUPAC Name:	9-bromo-3-(2-bromoacetyl)-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one
Description:	9-Bromo-3-(2-bromoacetyl)-10,11-dihydro-5H-dibenzo[c,g]chromen-8(9H)-one (CAS# 1438383-89-1) is an antiviral agent and Velpatasvir (V116000) intermediate. Velpatasvir is a NS5A inhibitor in patients with hepatitis C (HCV) infection.
Molecular Weight:	450.12
Molecular Formula:	C19H14Br2O3
Canonical SMILES:	C1CC2=C(C=C3C(=C2)C4=C(CO3)C=C(C=C4)C(=O)CBr)C(=O)C1Br
InChI:	InChI=1S/C19H14Br2O3/c20-8-17(22)11-1-3-13-12(5-11)9-24-18-7-14-10(6-15(13)18)2-4-16(21)19(14)23/h1,3,5-7,16H,2,4,8-9H2
InChI Key:	NVSLOKHCHIFJDR-UHFFFAOYSA-N
LogP:	4.71600

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2018103239-A1	Preparation method for velpatasvir intermediate and analogue thereof	20161205
CN-108147972-B	Preparation method of vipatavir intermediate and analogue thereof	20161205
US-2017320885-A1	Process for the preparation of intermediates useful in the preparation of hepatitis c virus (hcv) inhibitors	20160505
US-9957279-B2	Process for the preparation of intermediates useful in the preparation of Hepatitis C virus (HCV) inhibitors	20160505
WO-2017191546-A1	Process for the preparation of intermediates useful in the preparation of hepatitis c virus (hcv) inhibitors	20160505

Complexity:	523
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	449.92892
Formal Charge:	0
Heavy Atom Count:	24
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	447.93097
Rotatable Bond Count:	2
Topological Polar Surface Area:	43.4 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	4.6