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Bax-activator-106 5mg

CAT: 0628-A18406-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A18406-5Size:5 mg
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CAS Number
1638526-94-9

Chemical Information

Bax activator-1
CAS Number1638526-94-9
PubChem CID26230248
IUPAC Name[5-[(3,4-dimethylphenyl)methyl]-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-[(3R)-3-hydroxypiperidin-1-yl]methanone
Molecular FormulaC29H36N4O3
Molecular Weight488.6
XLogP3.6
Topological Polar Surface Area70.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity737
SMILES
CC1=C(C=C(C=C1)CN2CCC3=C(C2)C(=NN3CC4=CC(=CC=C4)OC)C(=O)N5CCC[C@H](C5)O)C
InChI
InChI=1S/C29H36N4O3/c1-20-9-10-23(14-21(20)2)16-31-13-11-27-26(19-31)28(29(35)32-12-5-7-24(34)18-32)30-33(27)17-22-6-4-8-25(15-22)36-3/h4,6,8-10,14-15,24,34H,5,7,11-13,16-19H2,1-3H3/t24-/m1/s1
InChIKey
OLNVSYZSZXRLCF-XMMPIXPASA-N
Chemical Structure
2D Structure
2D structure of Bax activator-1
CAS: 1638526-94-9
CID: 26230248
Formula: C29H36N4O3
MW: 488.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight488.6
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass488.27874102
Monoisotopic Mass488.27874102
Topological Polar Surface Area70.8 Ų
Heavy Atom Count36
Formal Charge0
Complexity737
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