14-Anhydrobufalin
TL;DR: 14-Anhydrobufalin (CAS 7439-77-2) is a chemical compound with molecular formula C24H32O3 and molecular weight 368.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pyran-2-one
Also Known As: 14-Anhydrobufalin, 14-Dehydrobufalin, 3-Hydroxybufa-14,20,22-trienolide, 3-Hydroxybufa-14,20,22-trienolide #, 5.beta.-Bufa-14,20,22-trienolide, 3.beta.-hydroxy-
| Molecular Formula | C24H32O3 |
|---|---|
| Molecular Weight | 368.24 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 368.23514 |
| Heavy Atoms | 27 |
| Complexity | 747.0 |
Chemical Identifiers
| CAS Number | 7439-77-2 |
|---|---|
| SMILES | CC12CCC(CC1CCC3C2CCC4(C3=CCC4C5=COC(=O)C=C5)C)O |
| InChIKey | LPARRDGBTTTYTR-UHFFFAOYSA-N |
Product Overview
14-Anhydrobufalin (CAS 7439-77-2), with molecular formula C24H32O3 and molecular weight 368.24 g/mol. IUPAC: 5-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pyran-2-one.
Chemical Property Profile of 14-Anhydrobufalin
Property Insights of 14-Anhydrobufalin
The XLogP value of 4.6 indicates that 14-Anhydrobufalin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 14-Anhydrobufalin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 14-Anhydrobufalin has 1 hydrogen bond donor(s) and 3 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 14-Anhydrobufalin?
The CAS number of 14-Anhydrobufalin is 7439-77-2.
What is the molecular formula of 14-Anhydrobufalin?
The molecular formula of 14-Anhydrobufalin is C24H32O3.
What is the molecular weight of 14-Anhydrobufalin?
The molecular weight of 14-Anhydrobufalin is 368.24 g/mol.
Where can I buy 14-Anhydrobufalin?
You can request a quote for 14-Anhydrobufalin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 14-Anhydrobufalin?
Yes, KEHONG BIO provides custom synthesis services for 14-Anhydrobufalin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.