11-Monoketofusidic acid
TL;DR: 11-Monoketofusidic acid (CAS 16711-91-4) is a chemical compound with molecular formula C31H46O6 and molecular weight 514.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-[(3R,4S,8S,9R,10S,13R,14R,16S)-3-hydroxy-4,10,14-trimethyl-11-oxo-16-propanoyloxy-2,3,4,5,6,7,8,9,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid
Also Known As: 11-Ketofusidic acid, 11-Keto Fusidic Acid, 11-Monoketofusidic acid, 11-Ketofusidinsaeure, Fusidic acid EP Impurity H
| Molecular Formula | C31H46O6 |
|---|---|
| Molecular Weight | 514.33 g/mol |
| LogP | 5.8743 |
| Topological Polar Surface Area | 100.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 514.32947 |
| Heavy Atoms | 37 |
| Complexity | 1005.1684 |
Chemical Identifiers
| CAS Number | 16711-91-4 |
|---|---|
| SMILES | CCC(=O)O[C@H]\1C[C@@]2([C@H]3CCC4[C@@H]([C@@H](CC[C@@]4([C@@H]3C(=O)C[C@H]2/C1=C(\CCC=C(C)C)/C(=O)O)C)O)C)C |
Product Overview
11-Monoketofusidic acid (CAS 16711-91-4), with molecular formula C31H46O6 and molecular weight 514.33 g/mol. IUPAC: (2Z)-2-[(3R,4S,8S,9R,10S,13R,14R,16S)-3-hydroxy-4,10,14-trimethyl-11-oxo-16-propanoyloxy-2,3,4,5,6,7,8,9,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid.
Chemical Property Profile of 11-Monoketofusidic acid
Property Insights of 11-Monoketofusidic acid
The XLogP value of 5.8743 indicates that 11-Monoketofusidic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 11-Monoketofusidic acid. Following Lipinski's Rule of Five, 11-Monoketofusidic acid has 2 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 11-Monoketofusidic acid?
The CAS number of 11-Monoketofusidic acid is 16711-91-4.
What is the molecular formula of 11-Monoketofusidic acid?
The molecular formula of 11-Monoketofusidic acid is C31H46O6.
What is the molecular weight of 11-Monoketofusidic acid?
The molecular weight of 11-Monoketofusidic acid is 514.33 g/mol.
Where can I buy 11-Monoketofusidic acid?
You can request a quote for 11-Monoketofusidic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-Monoketofusidic acid?
Yes, KEHONG BIO provides custom synthesis services for 11-Monoketofusidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.