Timodine
TL;DR: Timodine (CAS 96728-14-2) is a chemical compound with molecular formula C21H30O5 and molecular weight 362.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9S,10R,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Also Known As: Timodine, hydrocortisone, Dimethicone mixture with nystatin, 11,17,21-Trihydroxypregn-4-ene-3,20-dione, 11,17alpha,21-Trihydroxypregna-4-ene-3,20-dione
| Molecular Formula | C21H30O5 |
|---|---|
| Molecular Weight | 362.21 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 362.20932 |
| Heavy Atoms | 26 |
| Complexity | 684.0 |
Chemical Identifiers
| CAS Number | 96728-14-2 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O |
| InChIKey | JYGXADMDTFJGBT-KZUKIWJVSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Timodine (CAS 96728-14-2), with molecular formula C21H30O5 and molecular weight 362.21 g/mol. IUPAC: (8S,9S,10R,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one.
Chemical Property Profile of Timodine
Property Insights of Timodine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Timodine. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Timodine. Following Lipinski's Rule of Five, Timodine 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 Timodine?
The CAS number of Timodine is 96728-14-2.
What is the molecular formula of Timodine?
The molecular formula of Timodine is C21H30O5.
What is the molecular weight of Timodine?
The molecular weight of Timodine is 362.21 g/mol.
Where can I buy Timodine?
You can request a quote for Timodine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Timodine?
Yes, KEHONG BIO provides custom synthesis services for Timodine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.