MT189

CAT: 0127-BUP13146-05Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP13146-05Size:100 mg

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

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CAS Number

1885900-35-5

Synonyms

Antiproliferative agent-14

Purity

=98%

Smiles

COc1ccc(CNc2c(nc3ccc(F)cn23)-c2ccccc2O)cc1

Chemical Information

Antiproliferative agent-14

CAS Number	1885900-35-5
PubChem CID	86280647
IUPAC Name	2-[6-fluoro-3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol
Molecular Formula	C21H18FN3O2
Molecular Weight	363.4
XLogP	5
Topological Polar Surface Area	58.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	27
Formal Charge	0
Complexity	474

SMILES

COC1=CC=C(C=C1)CNC2=C(N=C3N2C=C(C=C3)F)C4=CC=CC=C4O

InChI

InChI=1S/C21H18FN3O2/c1-27-16-9-6-14(7-10-16)12-23-21-20(17-4-2-3-5-18(17)26)24-19-11-8-15(22)13-25(19)21/h2-11,13,23,26H,12H2,1H3

InChIKey

QBNMSKFVSPKNSV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1885900-35-5

CID: 86280647

Formula: C21H18FN3O2

MW: 363.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	363.4
XLogP3	5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	363.13830499
Monoisotopic Mass	363.13830499
Topological Polar Surface Area	58.8 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	474
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
T60129-01	MT189