Tixocortol
TL;DR: Tixocortol (CAS 61951-99-3) is a chemical compound with molecular formula C21H30O4S and molecular weight 378.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-17-(2-sulfanylacetyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Also Known As: Tixocortol, Tixocortolum, Cortisol 21-Thiol, Tixocortol (INN), Tixocortol [INN:BAN]
| Molecular Formula | C21H30O4S |
|---|---|
| Molecular Weight | 378.19 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 378.1865 |
| Heavy Atoms | 26 |
| Complexity | 687.0 |
| Melting Point | 50-55ºC |
| Boiling Point | 607ºC at 760 mmHg |
| Solubility | Insoluble |
Chemical Identifiers
| CAS Number | 61951-99-3 |
|---|---|
| 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)CS)O)C)O |
| InChIKey | YWDBSCORAARPPF-VWUMJDOOSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tixocortol (CAS 61951-99-3), with molecular formula C21H30O4S and molecular weight 378.19 g/mol. IUPAC: (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-17-(2-sulfanylacetyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one.
Chemical Property Profile of Tixocortol
Property Insights of Tixocortol
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tixocortol. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Tixocortol. Following Lipinski's Rule of Five, Tixocortol 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 Tixocortol?
The CAS number of Tixocortol is 61951-99-3.
What is the molecular formula of Tixocortol?
The molecular formula of Tixocortol is C21H30O4S.
What is the molecular weight of Tixocortol?
The molecular weight of Tixocortol is 378.19 g/mol.
Where can I buy Tixocortol?
You can request a quote for Tixocortol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tixocortol?
Yes, KEHONG BIO provides custom synthesis services for Tixocortol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.