Bipinnatin
TL;DR: Bipinnatin (CAS 33649-13-7) is a chemical compound with molecular formula C15H20O4 and molecular weight 264.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aS,6S,6aS,7R,9aR,9bR)-7-hydroxy-6,9a-dimethyl-3-methylidene-3a,4,5,6,6a,7,8,9b-octahydroazuleno[8,7-b]furan-2,9-dione
Also Known As: Butocarboximsulfoxide, (3as,6s,6as,7r,9ar,9br)-7-hydroxy-6,9a-dimethyl-3-methylidenedecahydroazuleno[4,5-b]furan-2,9-dione, (3aS,6S,6aS,7R,9aR,9bR)-7-hydroxy-6,9a-dimethyl-3-methylidene-3a,4,5,6,6a,7,8,9b-octahydroazuleno[8,7-b]furan-2,9-dione, 7-Hydroxy-6,9a-dimethyl-3-methylene-decahydro-azuleno[4,5-b]furan-2,9-dione, 7-Hydroxy-6,9a-dimethyl-3-methylidenedecahydroazuleno[4,5-b]furan-2,9-dione
| Molecular Formula | C15H20O4 |
|---|---|
| Molecular Weight | 264.14 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 264.13617 |
| Heavy Atoms | 19 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 33649-13-7 |
|---|---|
| SMILES | C[C@H]1CC[C@@H]2[C@H]([C@]3([C@H]1[C@@H](CC3=O)O)C)OC(=O)C2=C |
| InChIKey | WFMZXKFPRCNRAW-ICJWCHSRSA-N |
Product Overview
Bipinnatin (CAS 33649-13-7), with molecular formula C15H20O4 and molecular weight 264.14 g/mol. IUPAC: (3aS,6S,6aS,7R,9aR,9bR)-7-hydroxy-6,9a-dimethyl-3-methylidene-3a,4,5,6,6a,7,8,9b-octahydroazuleno[8,7-b]furan-2,9-dione.
Chemical Property Profile of Bipinnatin
Property Insights of Bipinnatin
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bipinnatin. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Bipinnatin. Following Lipinski's Rule of Five, Bipinnatin has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bipinnatin?
The CAS number of Bipinnatin is 33649-13-7.
What is the molecular formula of Bipinnatin?
The molecular formula of Bipinnatin is C15H20O4.
What is the molecular weight of Bipinnatin?
The molecular weight of Bipinnatin is 264.14 g/mol.
Where can I buy Bipinnatin?
You can request a quote for Bipinnatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bipinnatin?
Yes, KEHONG BIO provides custom synthesis services for Bipinnatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.