Pseudobufarenogin
TL;DR: Pseudobufarenogin (CAS 17008-69-4) is a chemical compound with molecular formula C24H32O6 and molecular weight 416.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one
Also Known As: Pseudobufarenogin, Bufarenogin, psi-Bufarenogin, phi-bufarenogin, I-Bufarenogin
| Molecular Formula | C24H32O6 |
|---|---|
| Molecular Weight | 416.22 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 416.21988 |
| Heavy Atoms | 30 |
| Complexity | 847.0 |
Chemical Identifiers
| CAS Number | 17008-69-4 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2C(=O)[C@@H]([C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O)O |
| InChIKey | SOGONHOGEFLVPE-BHZHDSHXSA-N |
Product Overview
Pseudobufarenogin (CAS 17008-69-4), with molecular formula C24H32O6 and molecular weight 416.22 g/mol. IUPAC: 5-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one.
Chemical Property Profile of Pseudobufarenogin
Property Insights of Pseudobufarenogin
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pseudobufarenogin. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pseudobufarenogin. Following Lipinski's Rule of Five, Pseudobufarenogin has 3 hydrogen bond donor(s) and 6 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 Pseudobufarenogin?
The CAS number of Pseudobufarenogin is 17008-69-4.
What is the molecular formula of Pseudobufarenogin?
The molecular formula of Pseudobufarenogin is C24H32O6.
What is the molecular weight of Pseudobufarenogin?
The molecular weight of Pseudobufarenogin is 416.22 g/mol.
Where can I buy Pseudobufarenogin?
You can request a quote for Pseudobufarenogin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pseudobufarenogin?
Yes, KEHONG BIO provides custom synthesis services for Pseudobufarenogin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.