16-O-Deacetylfusidic acid
TL;DR: 16-O-Deacetylfusidic acid (CAS 13090-91-0) is a chemical compound with molecular formula C28H44O5 and molecular weight 460.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-6-methyl-2-[(3R,4S,8S,9R,10S,11R,13R,14R,16S)-3,11,16-trihydroxy-4,10,14-trimethyl-1,2,3,4,5,6,7,8,9,11,12,13,15,16-tetradecahydrocyclopenta[a]phenanthren-17-ylidene]hept-5-enoic acid
Also Known As: 16-O-Deacetylfusidic acid, 16-O-Desacetylfusidic acid, 16-O-16-Epideacetylfusidic acid, (2Z)-6-methyl-2-[(3R,4S,8S,9R,10S,11R,13R,14R,16S)-3,11,16-trihydroxy-4,10,14-trimethyl-1,2,3,4,5,6,7,8,9,11,12,13,15,16-tetradecahydrocyclopenta[a]phenanthren-17-ylidene]hept-5-enoic acid, 29-Nordammara-17(20),24-dien-21-oic acid, 3,11,16-trihydroxy-, (3alpha,4alpha,8alpha,9beta,11alpha,13alpha,14beta,16beta,17Z)-
| Molecular Formula | C28H44O5 |
|---|---|
| Molecular Weight | 460.32 g/mol |
| LogP | 4.7052 |
| Topological Polar Surface Area | 97.99 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 460.31888 |
| Heavy Atoms | 33 |
| Complexity | 841.2258 |
Chemical Identifiers
| CAS Number | 13090-91-0 |
|---|---|
| SMILES | C[C@@H]1[C@@H](CC[C@]2(C1CC[C@H]3[C@H]2[C@@H](C[C@@H]\4[C@@]3(C[C@@H](/C4=C(/CCC=C(C)C)\C(=O)O)O)C)O)C)O |
Product Overview
16-O-Deacetylfusidic acid (CAS 13090-91-0), with molecular formula C28H44O5 and molecular weight 460.32 g/mol. IUPAC: (2Z)-6-methyl-2-[(3R,4S,8S,9R,10S,11R,13R,14R,16S)-3,11,16-trihydroxy-4,10,14-trimethyl-1,2,3,4,5,6,7,8,9,11,12,13,15,16-tetradecahydrocyclopenta[a]phenanthren-17-ylidene]hept-5-enoic acid.
Chemical Property Profile of 16-O-Deacetylfusidic acid
Property Insights of 16-O-Deacetylfusidic acid
The XLogP value of 4.7052 indicates that 16-O-Deacetylfusidic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 16-O-Deacetylfusidic acid. Following Lipinski's Rule of Five, 16-O-Deacetylfusidic acid has 4 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 16-O-Deacetylfusidic acid?
The CAS number of 16-O-Deacetylfusidic acid is 13090-91-0.
What is the molecular formula of 16-O-Deacetylfusidic acid?
The molecular formula of 16-O-Deacetylfusidic acid is C28H44O5.
What is the molecular weight of 16-O-Deacetylfusidic acid?
The molecular weight of 16-O-Deacetylfusidic acid is 460.32 g/mol.
Where can I buy 16-O-Deacetylfusidic acid?
You can request a quote for 16-O-Deacetylfusidic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16-O-Deacetylfusidic acid?
Yes, KEHONG BIO provides custom synthesis services for 16-O-Deacetylfusidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.