Bufa-20,22-dienolide, 3-(acetyloxy)-14-chloro-15-hydroxy-
TL;DR: Bufa-20,22-dienolide, 3-(acetyloxy)-14-chloro-15-hydroxy- (CAS 42515-43-5) 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.
[(3S,5R,8R,9S,10S,13R,14S,15S)-14-chloro-15-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: Bufa-20,22-dienolide, 3-(acetyloxy)-14-chloro-15-hydroxy-, [(3S,5R,8R,9S,10S,13R,14S,15S)-14-chloro-15-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, (17xi)-3beta-(Acetyloxy)-14-chloro-15alpha-hydroxy-5beta-bufa-20,22-dienolide, Bufa-20, 3-(acetyloxy)-14-chloro-15-hydroxy-, (3.beta.,5.beta.,15.alpha.)-
| 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 | 42515-43-5 |
|---|---|
| SMILES | CC(=O)O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@@]3([C@H](CC4C5=COC(=O)C=C5)O)Cl)C)C |
| InChIKey | XNXYNZHSUOBJBE-ZHCJEMARSA-N |
Product Overview
Bufa-20,22-dienolide, 3-(acetyloxy)-14-chloro-15-hydroxy- (CAS 42515-43-5), with molecular formula C26H35ClO5 and molecular weight 462.22 g/mol. IUPAC: [(3S,5R,8R,9S,10S,13R,14S,15S)-14-chloro-15-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 Bufa-20,22-dienolide, 3-(acetyloxy)-14-chloro-15-hydroxy-
Property Insights of Bufa-20,22-dienolide, 3-(acetyloxy)-14-chloro-15-hydroxy-
The XLogP value of 4.6 indicates that Bufa-20,22-dienolide, 3-(acetyloxy)-14-chloro-15-hydroxy- 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 Bufa-20,22-dienolide, 3-(acetyloxy)-14-chloro-15-hydroxy-. Following Lipinski's Rule of Five, Bufa-20,22-dienolide, 3-(acetyloxy)-14-chloro-15-hydroxy- 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 Bufa-20,22-dienolide, 3-(acetyloxy)-14-chloro-15-hydroxy-?
The CAS number of Bufa-20,22-dienolide, 3-(acetyloxy)-14-chloro-15-hydroxy- is 42515-43-5.
What is the molecular formula of Bufa-20,22-dienolide, 3-(acetyloxy)-14-chloro-15-hydroxy-?
The molecular formula of Bufa-20,22-dienolide, 3-(acetyloxy)-14-chloro-15-hydroxy- is C26H35ClO5.
What is the molecular weight of Bufa-20,22-dienolide, 3-(acetyloxy)-14-chloro-15-hydroxy-?
The molecular weight of Bufa-20,22-dienolide, 3-(acetyloxy)-14-chloro-15-hydroxy- is 462.22 g/mol.
Where can I buy Bufa-20,22-dienolide, 3-(acetyloxy)-14-chloro-15-hydroxy-?
You can request a quote for Bufa-20,22-dienolide, 3-(acetyloxy)-14-chloro-15-hydroxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bufa-20,22-dienolide, 3-(acetyloxy)-14-chloro-15-hydroxy-?
Yes, KEHONG BIO provides custom synthesis services for Bufa-20,22-dienolide, 3-(acetyloxy)-14-chloro-15-hydroxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.