16-Epi-deacetyl-fusidic Acid
TL;DR: 16-Epi-deacetyl-fusidic Acid (CAS 5951-83-7) is a chemical compound with molecular formula C29H46O5 and molecular weight 474.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16R)-3,11,16-trihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]hept-5-enoic acid
Also Known As: 16-Epi-deacetyl-fusidic Acid, EPIDESACETYLFUSIDIC ACID, Fusidic Acid EP Impurity I; Sodium Fusidate EP Impurity I, (Z)-6-methyl-2-((3R,4S,5S,8S,9S,10S,11R,13R,14S,16R)-3,11,16-trihydroxy-4,8,10,14-tetramethyldodecahydro-1H-cyclopenta[a]phenanthren-17(2H,10H,14H)-ylidene)hept-5-enoic acid, 6-Methyl-2-[(3alpha,4alpha,5alpha,8alpha,9beta,11alpha,13alpha,14beta,16alpha)-3,11,16-trihydroxy-4,8,10,14-tetramethylgonan-17-ylidene]-5-heptenoic acid
| Molecular Formula | C29H46O5 |
|---|---|
| Molecular Weight | 474.33 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 98.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 474.33453 |
| Heavy Atoms | 34 |
| Complexity | 887.0 |
Chemical Identifiers
| CAS Number | 5951-83-7 |
|---|---|
| SMILES | C[C@H]1[C@@H]2CC[C@]3([C@H]([C@]2(CC[C@H]1O)C)[C@@H](C[C@@H]4[C@@]3(C[C@H](C4=C(CCC=C(C)C)C(=O)O)O)C)O)C |
| InChIKey | ZYPQPWJLUKNCQX-ZOZKCYBESA-N |
Product Overview
16-Epi-deacetyl-fusidic Acid (CAS 5951-83-7), with molecular formula C29H46O5 and molecular weight 474.33 g/mol. IUPAC: 6-methyl-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16R)-3,11,16-trihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]hept-5-enoic acid.
Chemical Property Profile of 16-Epi-deacetyl-fusidic Acid
Property Insights of 16-Epi-deacetyl-fusidic Acid
The XLogP value of 4.9 indicates that 16-Epi-deacetyl-fusidic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 16-Epi-deacetyl-fusidic Acid. Following Lipinski's Rule of Five, 16-Epi-deacetyl-fusidic Acid has 4 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 16-Epi-deacetyl-fusidic Acid?
The CAS number of 16-Epi-deacetyl-fusidic Acid is 5951-83-7.
What is the molecular formula of 16-Epi-deacetyl-fusidic Acid?
The molecular formula of 16-Epi-deacetyl-fusidic Acid is C29H46O5.
What is the molecular weight of 16-Epi-deacetyl-fusidic Acid?
The molecular weight of 16-Epi-deacetyl-fusidic Acid is 474.33 g/mol.
Where can I buy 16-Epi-deacetyl-fusidic Acid?
You can request a quote for 16-Epi-deacetyl-fusidic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16-Epi-deacetyl-fusidic Acid?
Yes, KEHONG BIO provides custom synthesis services for 16-Epi-deacetyl-fusidic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.