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6-Bromo-2,2-dimethyl-2H-benzo[b][1,4]oxazin-3(4H)-one

6-Bromo-2,2-dimethyl-2H-benzo[b][1,4]oxazin-3(4H)-one - CAS 949008-41-7

Catalog:	BB041581
Product Name:	6-Bromo-2,2-dimethyl-2H-benzo[b][1,4]oxazin-3(4H)-one
CAS:	949008-41-7
Synonyms:	6-bromo-2,2-dimethyl-4H-1,4-benzoxazin-3-one; 6-bromo-2,2-dimethyl-4H-1,4-benzoxazin-3-one

Technical Data

Patents

Computed Properties

IUPAC Name:	6-bromo-2,2-dimethyl-4H-1,4-benzoxazin-3-one
Description:	6-Bromo-2,2-dimethyl-2H-benzo[b][1,4]oxazin-3(4H)-one (CAS# 949008-41-7) is a useful research chemical.
Molecular Weight:	256.10
Molecular Formula:	C10H10BrNO2
Canonical SMILES:	CC1(C(=O)NC2=C(O1)C=CC(=C2)Br)C
InChI:	InChI=1S/C10H10BrNO2/c1-10(2)9(13)12-7-5-6(11)3-4-8(7)14-10/h3-5H,1-2H3,(H,12,13)
InChI Key:	CHVWBFMSOWQLGJ-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
LogP:	2.69660

Publication Number	Title	Priority Date
WO-2021126728-A1	Prmt5 inhibitors	20191217
AU-2018381004-A1	Heterocyclic compounds as PRMT5 inhibitors	20171205
WO-2019112719-A1	Heterocyclic compounds as prmt5 inhibitors	20171205
CN-111741964-A	Heterocyclic compounds as PRMT5 inhibitors	20171205
EP-3720495-A1	Heterocyclic compounds as prmt5 inhibitors	20171205

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Complexity:	255
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	254.98949
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	254.98949
Rotatable Bond Count:	0
Topological Polar Surface Area:	38.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2