3-(Acetyloxy)-15-chloro-14-hydroxybufa-20,22-dienolide
TL;DR: 3-(Acetyloxy)-15-chloro-14-hydroxybufa-20,22-dienolide (CAS 39707-16-9) is a chemical compound with molecular formula C26H35ClO5 and molecular weight 462.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[15-chloro-14-hydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
Also Known As: 3-(Acetyloxy)-15-chloro-14-hydroxybufa-20,22-dienolide, [15-chloro-14-hydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
| Molecular Formula | C26H35ClO5 |
|---|---|
| Molecular Weight | 462.22 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 462.21732 |
| Heavy Atoms | 32 |
| Complexity | 881.0 |
Chemical Identifiers
| CAS Number | 39707-16-9 |
|---|---|
| SMILES | CC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C3(C(CC4C5=COC(=O)C=C5)Cl)O)C)C |
| InChIKey | ASFNWXQEOGLGST-UHFFFAOYSA-N |
Product Overview
3-(Acetyloxy)-15-chloro-14-hydroxybufa-20,22-dienolide (CAS 39707-16-9), with molecular formula C26H35ClO5 and molecular weight 462.22 g/mol. IUPAC: [15-chloro-14-hydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of 3-(Acetyloxy)-15-chloro-14-hydroxybufa-20,22-dienolide
Property Insights of 3-(Acetyloxy)-15-chloro-14-hydroxybufa-20,22-dienolide
The XLogP value of 4.6 indicates that 3-(Acetyloxy)-15-chloro-14-hydroxybufa-20,22-dienolide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Acetyloxy)-15-chloro-14-hydroxybufa-20,22-dienolide. Following Lipinski's Rule of Five, 3-(Acetyloxy)-15-chloro-14-hydroxybufa-20,22-dienolide has 1 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 3-(Acetyloxy)-15-chloro-14-hydroxybufa-20,22-dienolide?
The CAS number of 3-(Acetyloxy)-15-chloro-14-hydroxybufa-20,22-dienolide is 39707-16-9.
What is the molecular formula of 3-(Acetyloxy)-15-chloro-14-hydroxybufa-20,22-dienolide?
The molecular formula of 3-(Acetyloxy)-15-chloro-14-hydroxybufa-20,22-dienolide is C26H35ClO5.
What is the molecular weight of 3-(Acetyloxy)-15-chloro-14-hydroxybufa-20,22-dienolide?
The molecular weight of 3-(Acetyloxy)-15-chloro-14-hydroxybufa-20,22-dienolide is 462.22 g/mol.
Where can I buy 3-(Acetyloxy)-15-chloro-14-hydroxybufa-20,22-dienolide?
You can request a quote for 3-(Acetyloxy)-15-chloro-14-hydroxybufa-20,22-dienolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Acetyloxy)-15-chloro-14-hydroxybufa-20,22-dienolide?
Yes, KEHONG BIO provides custom synthesis services for 3-(Acetyloxy)-15-chloro-14-hydroxybufa-20,22-dienolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.