SQ-31765 50mg

CAT: 0628-A19529-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A19529-50Size:50 mg

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CAS Number

138383-07-0

Chemical Information

SQ-31765 free base

CAS Number	138383-07-0
PubChem CID	130534
IUPAC Name	[(3R,4S)-1-[2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-2-oxo-6-(trifluoromethyl)-4,5-dihydro-3H-1-benzazepin-3-yl] acetate
Molecular Formula	C24H27F3N2O4
Molecular Weight	464.5
XLogP	3.9
Topological Polar Surface Area	59.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Heavy Atom Count	33
Formal Charge	0
Complexity	679

SMILES

CC(=O)O[C@@H]1[C@@H](CC2=C(C=CC=C2N(C1=O)CCN(C)C)C(F)(F)F)C3=CC=C(C=C3)OC

InChI

InChI=1S/C24H27F3N2O4/c1-15(30)33-22-18(16-8-10-17(32-4)11-9-16)14-19-20(24(25,26)27)6-5-7-21(19)29(23(22)31)13-12-28(2)3/h5-11,18,22H,12-14H2,1-4H3/t18-,22+/m0/s1

InChIKey

GZJHZWDNNABIOE-PGRDOPGGSA-N

Chemical Structure

2D Structure

CAS: 138383-07-0

CID: 130534

Formula: C24H27F3N2O4

MW: 464.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	464.5
XLogP3	3.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	464.19229183
Monoisotopic Mass	464.19229183
Topological Polar Surface Area	59.1 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	679
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
HY-101740	SQ-31765
TRC-S683700-10MG	SQ 22536
HY-124202	SQ 32602
HY-19604	SQ 26490
T26216-01	SQ 31844
T28841-01	SQ 26655
HY-129748	SQ-24798
HY-125386	SQ 32056
HY-120673	SQ 32970
T34701	SQ 32732

SQ-31765 50mg

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