18-hydroxycortisol
TL;DR: 18-hydroxycortisol (CAS 864-27-7) is a chemical compound with molecular formula C21H30O6 and molecular weight 378.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,5R,9S,11S,12S,13R)-5,6,11-trihydroxy-6-(hydroxymethyl)-13-methyl-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-17-en-16-one
Also Known As: 18-hydroxycortisol, KST-1A8618, J3.042.802A, (1S,2S,5R,9S,11S,12S,13R)-5,6,11-Trihydroxy-6-(hydroxymethyl)-13-methyl-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-17-en-16-one, (11
| Molecular Formula | C21H30O6 |
|---|---|
| Molecular Weight | 378.20 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 378.20422 |
| Heavy Atoms | 27 |
| Complexity | 719.0 |
Chemical Identifiers
| CAS Number | 864-27-7 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@@]45[C@H]3CC[C@@]4(C(OC5)(CO)O)O)O |
| InChIKey | TZHBCIMMSKGBFX-QJUCYEIZSA-N |
Product Overview
18-hydroxycortisol (CAS 864-27-7), with molecular formula C21H30O6 and molecular weight 378.20 g/mol. IUPAC: (1S,2S,5R,9S,11S,12S,13R)-5,6,11-trihydroxy-6-(hydroxymethyl)-13-methyl-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-17-en-16-one.
Chemical Property Profile of 18-hydroxycortisol
Property Insights of 18-hydroxycortisol
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 18-hydroxycortisol. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 18-hydroxycortisol. Following Lipinski's Rule of Five, 18-hydroxycortisol has 4 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 18-hydroxycortisol?
The CAS number of 18-hydroxycortisol is 864-27-7.
What is the molecular formula of 18-hydroxycortisol?
The molecular formula of 18-hydroxycortisol is C21H30O6.
What is the molecular weight of 18-hydroxycortisol?
The molecular weight of 18-hydroxycortisol is 378.20 g/mol.
Where can I buy 18-hydroxycortisol?
You can request a quote for 18-hydroxycortisol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 18-hydroxycortisol?
Yes, KEHONG BIO provides custom synthesis services for 18-hydroxycortisol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.