Cortisol-17 acid
TL;DR: Cortisol-17 acid (CAS 3597-45-3) is a chemical compound with molecular formula C20H28O5 and molecular weight 348.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9S,10R,11S,13S,14S)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid
Also Known As: Cortisol-17 acid, KST-1A4661, (11, A)-11,17-dihydroxy-3-oxoandrost-4-ene-17-carboxylic acid, (8S,9S,10R,11S,13S,14S)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid
| Molecular Formula | C20H28O5 |
|---|---|
| Molecular Weight | 348.19 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 348.19366 |
| Heavy Atoms | 25 |
| Complexity | 669.0 |
Chemical Identifiers
| CAS Number | 3597-45-3 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CCC4(C(=O)O)O)C)O |
| InChIKey | XNZSRYSTBKQWGZ-HJSFSJJBSA-N |
Product Overview
Cortisol-17 acid (CAS 3597-45-3), with molecular formula C20H28O5 and molecular weight 348.19 g/mol. IUPAC: (8S,9S,10R,11S,13S,14S)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid.
Chemical Property Profile of Cortisol-17 acid
Property Insights of Cortisol-17 acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cortisol-17 acid. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Cortisol-17 acid. Following Lipinski's Rule of Five, Cortisol-17 acid has 3 hydrogen bond donor(s) and 5 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 Cortisol-17 acid?
The CAS number of Cortisol-17 acid is 3597-45-3.
What is the molecular formula of Cortisol-17 acid?
The molecular formula of Cortisol-17 acid is C20H28O5.
What is the molecular weight of Cortisol-17 acid?
The molecular weight of Cortisol-17 acid is 348.19 g/mol.
Where can I buy Cortisol-17 acid?
You can request a quote for Cortisol-17 acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cortisol-17 acid?
Yes, KEHONG BIO provides custom synthesis services for Cortisol-17 acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.