夫西地酸
TL;DR: 夫西地酸 (CAS 6990-06-3) is a chemical compound with molecular formula C31H48O6 and molecular weight 516.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
夫西地酸
2-(16-acetyloxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene)-6-methylhept-5-enoic acid
Also Known As: fusidic acid, 5-Bromo-N,N-dimethylpyrazole-3-sulfonamide, (3a,4a,8a,9b,11a,13a,147b,167b,17Z)-16-(Acetyloxy)-3,11-dihydroxy-29-nordammara-17(20);24-dien-21-oic acid, 2-(16-acetoxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene)-6-methyl-hept-5-enoic acid, 2-(16-acetyloxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene)-6-methylhept-5-enoic acid
| Molecular Formula | C31H48O6 |
|---|---|
| Molecular Weight | 516.35 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 516.3451 |
| Heavy Atoms | 37 |
| Complexity | 994.0 |
Chemical Identifiers
| CAS Number | 6990-06-3 |
|---|---|
| SMILES | CC1C2CCC3(C(C2(CCC1O)C)C(CC4C3(CC(C4=C(CCC=C(C)C)C(=O)O)OC(=O)C)C)O)C |
| InChIKey | IECPWNUMDGFDKC-UHFFFAOYSA-N |
Product Overview
夫西地酸 (CAS 6990-06-3), with molecular formula C31H48O6 and molecular weight 516.35 g/mol. IUPAC: 2-(16-acetyloxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene)-6-methylhept-5-enoic acid.
Chemical Property Profile of 夫西地酸
Property Insights of 夫西地酸
The XLogP value of 5.5 indicates that 梭链孢酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 夫西地酸. Following Lipinski's Rule of Five, 梭链孢酸 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 梭链孢酸?
The CAS number of 梭链孢酸 is 6990-06-3.
What is the molecular formula of 梭链孢酸?
The molecular formula of 梭链孢酸 is C31H48O6.
What is the molecular weight of 梭链孢酸?
The molecular weight of 梭链孢酸 is 516.35 g/mol.
Where can I buy 梭链孢酸?
You can request a quote for 梭链孢酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 梭链孢酸?
Yes, KEHONG BIO provides custom synthesis services for 梭链孢酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.