3,11-Diketofusidic acid
TL;DR: 3,11-Diketofusidic acid (CAS 3482-41-5) is a chemical compound with molecular formula C31H44O6 and molecular weight 512.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-6-methyl-2-[(4S,8S,9R,10S,13R,14R,16S)-4,10,14-trimethyl-3,11-dioxo-16-propanoyloxy-1,2,4,5,6,7,8,9,12,13,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]hept-5-enoic acid
Also Known As: 3,11-Diketofusidic acid, 3,11-Dideoxy-3,11-dioxofusidic Acid, 1-(4-hydroxybutyl)pyrimidine-2,4-dione, (2Z)-6-methyl-2-[(4S,8S,9R,10S,13R,14R,16S)-4,10,14-trimethyl-3,11-dioxo-16-propanoyloxy-1,2,4,5,6,7,8,9,12,13,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]hept-5-enoic acid, 29-Nordammara-17(20),24-dien-21-oic acid, 16-(acetyloxy)-3,11-dioxo-, (4alpha,8alpha,9beta,13alpha,14beta,16beta,17Z)-
| Molecular Formula | C31H44O6 |
|---|---|
| Molecular Weight | 512.31 g/mol |
| LogP | 6.0825 |
| Topological Polar Surface Area | 97.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 512.3138 |
| Heavy Atoms | 37 |
| Complexity | 1047.9165 |
Chemical Identifiers
| CAS Number | 3482-41-5 |
|---|---|
| SMILES | CCC(=O)O[C@H]\1C[C@@]2([C@H]3CCC4[C@@H](C(=O)CC[C@@]4([C@@H]3C(=O)C[C@H]2/C1=C(\CCC=C(C)C)/C(=O)O)C)C)C |
Product Overview
3,11-Diketofusidic acid (CAS 3482-41-5), with molecular formula C31H44O6 and molecular weight 512.31 g/mol. IUPAC: (2Z)-6-methyl-2-[(4S,8S,9R,10S,13R,14R,16S)-4,10,14-trimethyl-3,11-dioxo-16-propanoyloxy-1,2,4,5,6,7,8,9,12,13,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]hept-5-enoic acid.
Chemical Property Profile of 3,11-Diketofusidic acid
Property Insights of 3,11-Diketofusidic acid
The XLogP value of 6.0825 indicates that 3,11-Diketofusidic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,11-Diketofusidic acid. Following Lipinski's Rule of Five, 3,11-Diketofusidic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,11-Diketofusidic acid?
The CAS number of 3,11-Diketofusidic acid is 3482-41-5.
What is the molecular formula of 3,11-Diketofusidic acid?
The molecular formula of 3,11-Diketofusidic acid is C31H44O6.
What is the molecular weight of 3,11-Diketofusidic acid?
The molecular weight of 3,11-Diketofusidic acid is 512.31 g/mol.
Where can I buy 3,11-Diketofusidic acid?
You can request a quote for 3,11-Diketofusidic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,11-Diketofusidic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,11-Diketofusidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.