蟾毒灵
TL;DR: 蟾毒灵 (CAS 465-21-4) is a chemical compound with molecular formula C24H34O4 and molecular weight 386.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
蟾毒灵
5-(3,14-dihydroxy-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: bufalin, 3-Epibufalin, 3-epi-Bufalin, 3,14-Dihydroxybufa-20,22-dienolide, 3,14-Dihydroxy-bufa-20,22-dienolide
| Molecular Formula | C24H34O4 |
|---|---|
| Molecular Weight | 386.25 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 386.2457 |
| Heavy Atoms | 28 |
| Complexity | 741.0 |
Chemical Identifiers
| CAS Number | 465-21-4 |
|---|---|
| SMILES | CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=COC(=O)C=C5)O)C)O |
| InChIKey | QEEBRPGZBVVINN-UHFFFAOYSA-N |
Product Overview
蟾毒灵 (CAS 465-21-4), with molecular formula C24H34O4 and molecular weight 386.25 g/mol. IUPAC: 5-(3,14-dihydroxy-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 蟾毒灵
Property Insights of 蟾毒灵
The XLogP value of 3.2 indicates that 蟾毒灵 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 蟾毒灵. Following Lipinski's Rule of Five, 蟾毒灵 has 2 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 蟾毒灵?
The CAS number of 蟾毒灵 is 465-21-4.
What is the molecular formula of 蟾毒灵?
The molecular formula of 蟾毒灵 is C24H34O4.
What is the molecular weight of 蟾毒灵?
The molecular weight of 蟾毒灵 is 386.25 g/mol.
Where can I buy 蟾毒灵?
You can request a quote for 蟾毒灵 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 蟾毒灵?
Yes, KEHONG BIO provides custom synthesis services for 蟾毒灵 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.