Ansornitinib

CAT: 0607-BA8990-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0607-BA8990-5Size:5 mg

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CAS Number

1448874-96-1

Form

A solid

Molecular Formula

C30H32N6O4

Molecular Weight

540.61

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Ansornitinib

Ansornitinib is a small molecule drug. The usage of the INN stem '-tinib' in the name indicates that Ansornitinib is a tyrosine kinase inhibitor. Ansornitinib has a monoisotopic molecular weight of 540.25 Da.

CAS Number	1448874-96-1
PubChem CID	136234633
IUPAC Name	methyl 2-hydroxy-3-[N-[4-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]-C-phenylcarbonimidoyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxylate
Molecular Formula	C30H32N6O4
Molecular Weight	540.6
XLogP	3.9
Topological Polar Surface Area	114
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Heavy Atom Count	40
Formal Charge	0
Complexity	895

SMILES

CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=N5)C(=O)OC)O

InChI

InChI=1S/C30H32N6O4/c1-34-15-17-36(18-16-34)19-25(37)35(2)22-11-9-21(10-12-22)31-27(20-7-5-4-6-8-20)26-23-13-14-24(30(39)40-3)32-28(23)33-29(26)38/h4-14,38H,15-19H2,1-3H3,(H,32,33)

InChIKey

CIBINADBMIHXHZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1448874-96-1

CID: 136234633

Formula: C30H32N6O4

MW: 540.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	540.6
XLogP3	3.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Exact Mass	540.24850352
Monoisotopic Mass	540.24850352
Topological Polar Surface Area	114 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	895
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

Alternative Products

Catalog	Name
T63809-01	Ansornitinib

Ansornitinib

Chemical Information

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