泼尼松龙叔丁酸酯
TL;DR: 泼尼松龙叔丁酸酯 (CAS 7681-14-3) is a chemical compound with molecular formula C27H38O6 and molecular weight 458.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
泼尼松龙叔丁酸酯
[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] 3,3-dimethylbutanoate
Also Known As: prednisolone tebutate, Prednisolone_Tebutate, 11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl 3,3-dimethylbutanoate, [2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] 3,3-dimethylbutanoate, [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 3,3-dimethylbutanoate
| Molecular Formula | C27H38O6 |
|---|---|
| Molecular Weight | 458.27 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 458.26685 |
| Heavy Atoms | 33 |
| Complexity | 925.0 |
Chemical Identifiers
| CAS Number | 7681-14-3 |
|---|---|
| SMILES | CC12CC(C3C(C1CCC2(C(=O)COC(=O)CC(C)(C)C)O)CCC4=CC(=O)C=CC34C)O |
| InChIKey | HUMXXHTVHHLNRO-UHFFFAOYSA-N |
Product Overview
泼尼松龙叔丁酸酯 (CAS 7681-14-3), with molecular formula C27H38O6 and molecular weight 458.27 g/mol. IUPAC: [2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] 3,3-dimethylbutanoate.
Chemical Property Profile of 泼尼松龙叔丁酸酯
Property Insights of 泼尼松龙叔丁酸酯
The XLogP value of 4.1 indicates that 泼尼松龙叔丁酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 泼尼松龙叔丁酸酯. Following Lipinski's Rule of Five, 泼尼松龙叔丁酸酯 has 2 hydrogen bond donor(s) and 6 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 泼尼松龙叔丁酸酯?
The CAS number of 泼尼松龙叔丁酸酯 is 7681-14-3.
What is the molecular formula of 泼尼松龙叔丁酸酯?
The molecular formula of 泼尼松龙叔丁酸酯 is C27H38O6.
What is the molecular weight of 泼尼松龙叔丁酸酯?
The molecular weight of 泼尼松龙叔丁酸酯 is 458.27 g/mol.
Where can I buy 泼尼松龙叔丁酸酯?
You can request a quote for 泼尼松龙叔丁酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 泼尼松龙叔丁酸酯?
Yes, KEHONG BIO provides custom synthesis services for 泼尼松龙叔丁酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.