MLS1082

CAT: 0127-BUP20984-06Size: 200 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP20984-06Size:200 mg

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

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CAS Number

883958-36-9

Synonyms

MLS 1082

MDL Number

MFCD06591800

Purity

=98%

Smiles

O=C1C=2C=CC=CC2N(C=3N=C(N(C=4C=CC=CC4)C(=O)C13)C5CCCCC5)C

Chemical Information

2-cyclohexyl-10-methyl-3-phenylpyrimido[4,5-b]quinoline-4,5(3H,10H)-dione

CAS Number	883958-36-9
PubChem CID	2030130
IUPAC Name	2-cyclohexyl-10-methyl-3-phenylpyrimido[4,5-b]quinoline-4,5-dione
Molecular Formula	C24H23N3O2
Molecular Weight	385.5
XLogP	4.7
Topological Polar Surface Area	53
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	29
Formal Charge	0
Complexity	743

SMILES

CN1C2=CC=CC=C2C(=O)C3=C1N=C(N(C3=O)C4=CC=CC=C4)C5CCCCC5

InChI

InChI=1S/C24H23N3O2/c1-26-19-15-9-8-14-18(19)21(28)20-23(26)25-22(16-10-4-2-5-11-16)27(24(20)29)17-12-6-3-7-13-17/h3,6-9,12-16H,2,4-5,10-11H2,1H3

InChIKey

HZGMAMIIHBRAAR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 883958-36-9

CID: 2030130

Formula: C24H23N3O2

MW: 385.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	385.5
XLogP3	4.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	385.17902698
Monoisotopic Mass	385.17902698
Topological Polar Surface Area	53 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	743
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
GTR19188705-01	MLS1082