SBI-0640756

CAT: 0607-BA3622-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0607-BA3622-5Size:5 mg

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

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CAS Number

1821280-29-8

Form

A solid

Molecular Formula

C23H14ClFN2O2

Molecular Weight

404.82

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Sbi-756

CAS Number	1821280-29-8
PubChem CID	121241171
IUPAC Name	6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
Molecular Formula	C23H14ClFN2O2
Molecular Weight	404.8
XLogP	4.1
Topological Polar Surface Area	59.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	29
Formal Charge	0
Complexity	701

SMILES

C1=CC=C(C=C1)C2=C(C(=O)NC3=C2C=C(C=C3)Cl)C(=O)/C=C/C4=CC(=CN=C4)F

InChI

InChI=1S/C23H14ClFN2O2/c24-16-7-8-19-18(11-16)21(15-4-2-1-3-5-15)22(23(29)27-19)20(28)9-6-14-10-17(25)13-26-12-14/h1-13H,(H,27,29)/b9-6+

InChIKey

VVWGPQZBDQVQRC-RMKNXTFCSA-N

Chemical Structure

2D Structure

CAS: 1821280-29-8

CID: 121241171

Formula: C23H14ClFN2O2

MW: 404.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	404.8
XLogP3	4.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	404.0727835
Monoisotopic Mass	404.0727835
Topological Polar Surface Area	59.1 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	701
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes