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EGFR-IN-11

CAT: 0607-BA3176-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-BA3176-25Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2463200-44-2
Form
A solid
Molecular Formula
C29H35N9O2S
Molecular Weight
573.71
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Egfr-IN-11
CAS Number2463200-44-2
PubChem CID145712397
IUPAC Name9-[(3R)-1-cyclopropylsulfonylpyrrolidin-3-yl]-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-8-N-phenylpurine-2,8-diamine
Molecular FormulaC29H35N9O2S
Molecular Weight573.7
XLogP3.7
Topological Polar Surface Area120
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count41
Formal Charge0
Complexity971
SMILES
CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(C(=N4)NC5=CC=CC=C5)[C@@H]6CCN(C6)S(=O)(=O)C7CC7
InChI
InChI=1S/C29H35N9O2S/c1-35-15-17-36(18-16-35)23-9-7-22(8-10-23)31-28-30-19-26-27(34-28)38(29(33-26)32-21-5-3-2-4-6-21)24-13-14-37(20-24)41(39,40)25-11-12-25/h2-10,19,24-25H,11-18,20H2,1H3,(H,32,33)(H,30,31,34)/t24-/m1/s1
InChIKey
RNEHWYIFHKBZAW-XMMPIXPASA-N
Chemical Structure
2D Structure
2D structure of Egfr-IN-11
CAS: 2463200-44-2
CID: 145712397
Formula: C29H35N9O2S
MW: 573.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight573.7
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass573.26344257
Monoisotopic Mass573.26344257
Topological Polar Surface Area120 Ų
Heavy Atom Count41
Formal Charge0
Complexity971
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-130616-01EGFR-IN-11
GTR19235419-01EGFR/HER2-IN-11
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