Ras inhibitor abd-7

CAT: 0926-BUD84348-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-BUD84348-01Size:25 mg

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CAS Number

2351843-48-4

Smiles

CCC (C) (C) C1=CC=C (C=C1) OC2CCNC2.Cl

Molecular Formula

C23H25N3O3

Molecular Weight

391.5 g/mol

Controlled

Chemical Information

RAS inhibitor Abd-7

CAS Number	2351843-48-4
PubChem CID	134812710
IUPAC Name	6-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[4-[(dimethylamino)methyl]phenyl]-2-methoxypyridin-3-amine
Molecular Formula	C23H25N3O3
Molecular Weight	391.5
XLogP	3.9
Topological Polar Surface Area	55.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	29
Formal Charge	0
Complexity	498

SMILES

CN(C)CC1=CC=C(C=C1)NC2=C(N=C(C=C2)C3=C4C(=CC=C3)OCCO4)OC

InChI

InChI=1S/C23H25N3O3/c1-26(2)15-16-7-9-17(10-8-16)24-20-12-11-19(25-23(20)27-3)18-5-4-6-21-22(18)29-14-13-28-21/h4-12,24H,13-15H2,1-3H3

InChIKey

MJHHFDJNRRCUOB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2351843-48-4

CID: 134812710

Formula: C23H25N3O3

MW: 391.5

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	391.5
XLogP3	3.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	391.18959167
Monoisotopic Mass	391.18959167
Topological Polar Surface Area	55.9 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	498
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