USP7-IN-1 50mg

CAT: 0628-A12813-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A12813-50Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1381291-36-6

Chemical Information

Usp7-IN-1

CAS Number	1381291-36-6
PubChem CID	71278663
IUPAC Name	7-chloro-3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]quinazolin-4-one
Molecular Formula	C23H24ClN3O3
Molecular Weight	425.9
XLogP	2.6
Topological Polar Surface Area	73.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	30
Formal Charge	0
Complexity	656

SMILES

C1CN(CCC1(CN2C=NC3=C(C2=O)C=CC(=C3)Cl)O)C(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C23H24ClN3O3/c24-18-7-8-19-20(14-18)25-16-27(22(19)29)15-23(30)10-12-26(13-11-23)21(28)9-6-17-4-2-1-3-5-17/h1-5,7-8,14,16,30H,6,9-13,15H2

InChIKey

CITWIBXKKHFDFM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1381291-36-6

CID: 71278663

Formula: C23H24ClN3O3

MW: 425.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	425.9
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	425.1506193
Monoisotopic Mass	425.1506193
Topological Polar Surface Area	73.2 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	656
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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