Triamcinolone acetonide 21-oic acid methyl ester
TL;DR: Triamcinolone acetonide 21-oic acid methyl ester (CAS 53962-41-7) is a chemical compound with molecular formula C25H31FO7 and molecular weight 462.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(1S,2S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoacetate
Also Known As: TA Oic methyl ester, Triamcinolone acetonide 21-oic acid methyl ester, 21-Carboxylic Acid Triamcinolone Acetonide, methyl 2-[(1S,2S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoacetate, Pregna-1,4-dien-21-oic acid, 9-fluoro-11-hydroxy-16,17-((1-methylethylidene)bis(oxy))-3,20-dioxo-, (11beta,16alpha)-
| Molecular Formula | C25H31FO7 |
|---|---|
| Molecular Weight | 462.21 g/mol |
| LogP | 2.5995 |
| Topological Polar Surface Area | 99.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 462.20538 |
| Heavy Atoms | 33 |
| Complexity | 1016.2256 |
Chemical Identifiers
| CAS Number | 53962-41-7 |
|---|---|
| SMILES | C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)C(=O)OC)CCC5=CC(=O)C=C[C@@]53C)F)O |
Product Overview
Triamcinolone acetonide 21-oic acid methyl ester (CAS 53962-41-7), with molecular formula C25H31FO7 and molecular weight 462.21 g/mol. IUPAC: methyl 2-[(1S,2S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoacetate.
Chemical Property Profile of Triamcinolone acetonide 21-oic acid methyl ester
Property Insights of Triamcinolone acetonide 21-oic acid methyl ester
The XLogP value of 2.5995 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Triamcinolone acetonide 21-oic acid methyl ester. The TPSA of 99.13 Ų falls within the moderate polarity range, balancing permeability and solubility for Triamcinolone acetonide 21-oic acid methyl ester. Following Lipinski's Rule of Five, Triamcinolone acetonide 21-oic acid methyl ester has 1 hydrogen bond donor(s) and 7 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 Triamcinolone acetonide 21-oic acid methyl ester?
The CAS number of Triamcinolone acetonide 21-oic acid methyl ester is 53962-41-7.
What is the molecular formula of Triamcinolone acetonide 21-oic acid methyl ester?
The molecular formula of Triamcinolone acetonide 21-oic acid methyl ester is C25H31FO7.
What is the molecular weight of Triamcinolone acetonide 21-oic acid methyl ester?
The molecular weight of Triamcinolone acetonide 21-oic acid methyl ester is 462.21 g/mol.
Where can I buy Triamcinolone acetonide 21-oic acid methyl ester?
You can request a quote for Triamcinolone acetonide 21-oic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triamcinolone acetonide 21-oic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Triamcinolone acetonide 21-oic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.