EGFR-IN-69

CAT: 0607-BA6371-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0607-BA6371-25Size:25 mg

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CAS Number

2433837-65-9

Form

A solid

Molecular Formula

C31H37Cl2N7O3S

Molecular Weight

658.64

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Egfr-IN-69

CAS Number	2433837-65-9
PubChem CID	151183629
IUPAC Name	5-chloro-N-[5-chloro-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-(1-ethylsulfonylindol-3-yl)pyrimidin-2-amine
Molecular Formula	C31H37Cl2N7O3S
Molecular Weight	658.6
XLogP	5.6
Topological Polar Surface Area	104
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	8
Heavy Atom Count	44
Formal Charge	0
Complexity	1040

SMILES

CCS(=O)(=O)N1C=C(C2=CC=CC=C21)C3=NC(=NC=C3Cl)NC4=CC(=C(C=C4OC)N5CCC(CC5)N6CCN(CC6)C)Cl

InChI

InChI=1S/C31H37Cl2N7O3S/c1-4-44(41,42)40-20-23(22-7-5-6-8-27(22)40)30-25(33)19-34-31(36-30)35-26-17-24(32)28(18-29(26)43-3)39-11-9-21(10-12-39)38-15-13-37(2)14-16-38/h5-8,17-21H,4,9-16H2,1-3H3,(H,34,35,36)

InChIKey

NEVDBLDTOAJSBN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2433837-65-9

CID: 151183629

Formula: C31H37Cl2N7O3S

MW: 658.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	658.6
XLogP3	5.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	8
Exact Mass	657.2055646
Monoisotopic Mass	657.2055646
Topological Polar Surface Area	104 Å²
Heavy Atom Count	44
Formal Charge	0
Complexity	1040
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

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T73153-01	EGFR-IN-69
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066-81	HSM1 (28-69) / EMC10 (28-69) / INM02 (28-69) (Mouse)
GS40178-01	(Depatuxizumab) Biosimilar Reference Antibody (EGFR/ERBB1/HER1) (CAS NO:1471999-69-5)
563775	GeA-69
HY-139892	XR8-69
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T30123-01	ARD-69
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EGFR-IN-69

Chemical Information

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