delta1-Cortienic acid
TL;DR: delta1-Cortienic acid (CAS 95671-46-8) is a chemical compound with molecular formula C20H26O5 and molecular weight 346.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(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]phenanthrene-17-carboxylic acid
Also Known As: Prednienic acid, loteprednol, DELTA1-CORTIENIC ACID, Pj 90, Prednisolone Impurity 6
| Molecular Formula | C20H26O5 |
|---|---|
| Molecular Weight | 346.18 g/mol |
| LogP | 2.0808 |
| Topological Polar Surface Area | 94.83 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 346.178 |
| Heavy Atoms | 25 |
| Complexity | 708.87506 |
Chemical Identifiers
| CAS Number | 95671-46-8 |
|---|---|
| SMILES | C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)O)O)CCC4=CC(=O)C=C[C@]34C)O |
Product Overview
delta1-Cortienic acid (CAS 95671-46-8), with molecular formula C20H26O5 and molecular weight 346.18 g/mol. IUPAC: (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]phenanthrene-17-carboxylic acid.
Chemical Property Profile of delta1-Cortienic acid
Property Insights of delta1-Cortienic acid
The XLogP value of 2.0808 suggests moderate lipophilicity, balancing water solubility and membrane permeability for delta1-Cortienic acid. The TPSA of 94.83 Ų falls within the moderate polarity range, balancing permeability and solubility for delta1-Cortienic acid. Following Lipinski's Rule of Five, delta1-Cortienic acid has 3 hydrogen bond donor(s) and 4 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 delta1-Cortienic acid?
The CAS number of delta1-Cortienic acid is 95671-46-8.
What is the molecular formula of delta1-Cortienic acid?
The molecular formula of delta1-Cortienic acid is C20H26O5.
What is the molecular weight of delta1-Cortienic acid?
The molecular weight of delta1-Cortienic acid is 346.18 g/mol.
Where can I buy delta1-Cortienic acid?
You can request a quote for delta1-Cortienic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for delta1-Cortienic acid?
Yes, KEHONG BIO provides custom synthesis services for delta1-Cortienic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.