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N-Deshydroxyethyl Dasatinib 100mg

CAT: 0628-A20125-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A20125-100Size:100 mg
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CAS Number
910297-51-7

Chemical Information

N-Deshydroxyethyl Dasatinib
CAS Number910297-51-7
PubChem CID11669430
IUPAC NameN-(2-chloro-6-methylphenyl)-2-[(2-methyl-6-piperazin-1-ylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide
Molecular FormulaC20H22ClN7OS
Molecular Weight444.0
XLogP3.8
Topological Polar Surface Area123
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity581
SMILES
CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCNCC4
InChI
InChI=1S/C20H22ClN7OS/c1-12-4-3-5-14(21)18(12)27-19(29)15-11-23-20(30-15)26-16-10-17(25-13(2)24-16)28-8-6-22-7-9-28/h3-5,10-11,22H,6-9H2,1-2H3,(H,27,29)(H,23,24,25,26)
InChIKey
DOBZFFWLHXORTB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Deshydroxyethyl Dasatinib
CAS: 910297-51-7
CID: 11669430
Formula: C20H22ClN7OS
MW: 444.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight444.0
XLogP33.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass443.1295072
Monoisotopic Mass443.1295072
Topological Polar Surface Area123 Ų
Heavy Atom Count30
Formal Charge0
Complexity581
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
008426N-Deshydroxyethyl Dasatinib
HY-107447S-01N-Deshydroxyethyl Dasatinib-d8
HY-107447R-01N-Deshydroxyethyl Dasatinib (Standard)
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