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BBT-176

CAT: 1568-C21556-100mgSize: 100 mgDry Ice: NoHazardous: No
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CAT#:1568-C21556-100mgSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2254805-44-0
Molecular Formula
C28H37ClN8O3S 283783
Additionnal Information
EGFR

Chemical Information

example 10 [CN110740999A]
CAS Number2254805-44-0
PubChem CID142497307
IUPAC NameN-[2-[[5-chloro-2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]amino]phenyl]methanesulfonamide
Molecular FormulaC28H37ClN8O3S
Molecular Weight601.2
XLogP4
Topological Polar Surface Area123
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Heavy Atom Count41
Formal Charge0
Complexity913
SMILES
CN1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5NS(=O)(=O)C)Cl)OC
InChI
InChI=1S/C28H37ClN8O3S/c1-35-14-16-37(17-15-35)20-10-12-36(13-11-20)21-8-9-25(26(18-21)40-2)32-28-30-19-22(29)27(33-28)31-23-6-4-5-7-24(23)34-41(3,38)39/h4-9,18-20,34H,10-17H2,1-3H3,(H2,30,31,32,33)
InChIKey
MPISIZFSGAZROV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of example 10 [CN110740999A]
CAS: 2254805-44-0
CID: 142497307
Formula: C28H37ClN8O3S
MW: 601.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight601.2
XLogP34
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Exact Mass600.2397859
Monoisotopic Mass600.2397859
Topological Polar Surface Area123 Ų
Heavy Atom Count41
Formal Charge0
Complexity913
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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