皮质醇-17-苯甲酸酯
TL;DR: 皮质醇-17-苯甲酸酯 (CAS 28956-89-0) is a chemical compound with molecular formula C28H34O6 and molecular weight 466.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
皮质醇-17-苯甲酸酯
[(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] benzoate
Also Known As: Benzodrocortisone, hydrocortisone 17-benzoate, BENZODROCORTISONE [INN], KST-1A3563, compound 1 [WO2013071010]
| Molecular Formula | C28H34O6 |
|---|---|
| Molecular Weight | 466.24 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 466.23553 |
| Heavy Atoms | 34 |
| Complexity | 903.0 |
Chemical Identifiers
| CAS Number | 28956-89-0 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)OC(=O)C5=CC=CC=C5)C)O |
| InChIKey | LPEYMYDYPGRLBU-YGZHYJPASA-N |
Product Overview
皮质醇-17-苯甲酸酯 (CAS 28956-89-0), with molecular formula C28H34O6 and molecular weight 466.24 g/mol. IUPAC: [(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] benzoate.
Chemical Property Profile of 皮质醇-17-苯甲酸酯
Property Insights of 皮质醇-17-苯甲酸酯
The XLogP value of 4.0 indicates that 皮质醇-17-苯甲酸酯 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 皮质醇-17-苯甲酸酯. Following Lipinski's Rule of Five, 皮质醇-17-苯甲酸酯 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 皮质醇-17-苯甲酸酯?
The CAS number of 皮质醇-17-苯甲酸酯 is 28956-89-0.
What is the molecular formula of 皮质醇-17-苯甲酸酯?
The molecular formula of 皮质醇-17-苯甲酸酯 is C28H34O6.
What is the molecular weight of 皮质醇-17-苯甲酸酯?
The molecular weight of 皮质醇-17-苯甲酸酯 is 466.24 g/mol.
Where can I buy 皮质醇-17-苯甲酸酯?
You can request a quote for 皮质醇-17-苯甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 皮质醇-17-苯甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 皮质醇-17-苯甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.