Gamabufotalin (Gamabufagin; Gamabufogenin)
TL;DR: Gamabufotalin (Gamabufagin; Gamabufogenin) (CAS 496-63-9) is a chemical compound with molecular formula C24H34O5 and molecular weight 402.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3S,5R,10S,11R,13R,14S,17R)-3,11,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
Also Known As: Gamabufogenin, Gamabufotalin, Gammabufotalin, Gamabufagin, KST-1A5041
| Molecular Formula | C24H34O5 |
|---|---|
| Molecular Weight | 402.24 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 402.24063 |
| Heavy Atoms | 29 |
| Complexity | 773.0 |
Chemical Identifiers
| CAS Number | 496-63-9 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C[C@H]1CCC3C2[C@@H](C[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O)O |
| InChIKey | FMTLOAVOGWSPEF-RHVTZLDZSA-N |
Product Overview
Gamabufotalin (Gamabufagin; Gamabufogenin) (CAS 496-63-9), with molecular formula C24H34O5 and molecular weight 402.24 g/mol. IUPAC: 5-[(3S,5R,10S,11R,13R,14S,17R)-3,11,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one.
Chemical Property Profile of Gamabufotalin (Gamabufagin; Gamabufogenin)
Property Insights of Gamabufotalin (Gamabufagin; Gamabufogenin)
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Gamabufotalin (Gamabufagin; Gamabufogenin). The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Gamabufotalin (Gamabufagin; Gamabufogenin). Following Lipinski's Rule of Five, Gamabufotalin (Gamabufagin; Gamabufogenin) has 3 hydrogen bond donor(s) and 5 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 Gamabufotalin (Gamabufagin; Gamabufogenin)?
The CAS number of Gamabufotalin (Gamabufagin; Gamabufogenin) is 496-63-9.
What is the molecular formula of Gamabufotalin (Gamabufagin; Gamabufogenin)?
The molecular formula of Gamabufotalin (Gamabufagin; Gamabufogenin) is C24H34O5.
What is the molecular weight of Gamabufotalin (Gamabufagin; Gamabufogenin)?
The molecular weight of Gamabufotalin (Gamabufagin; Gamabufogenin) is 402.24 g/mol.
Where can I buy Gamabufotalin (Gamabufagin; Gamabufogenin)?
You can request a quote for Gamabufotalin (Gamabufagin; Gamabufogenin) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gamabufotalin (Gamabufagin; Gamabufogenin)?
Yes, KEHONG BIO provides custom synthesis services for Gamabufotalin (Gamabufagin; Gamabufogenin) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.