Thiodemecolcine
TL;DR: Thiodemecolcine (CAS 76129-11-8) is a chemical compound with molecular formula C21H25NO4S and molecular weight 387.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S)-1,2,3-trimethoxy-7-(methylamino)-10-methylsulfanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one
Also Known As: Thiodemecolcine, Colchicine analog, Demecolcine, thio-, NCI60_001837, 4-14-00-00954 (Beilstein Handbook Reference)
| Molecular Formula | C21H25NO4S |
|---|---|
| Molecular Weight | 387.15 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.15042 |
| Heavy Atoms | 27 |
| Complexity | 657.0 |
Chemical Identifiers
| CAS Number | 76129-11-8 |
|---|---|
| SMILES | CN[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC |
| InChIKey | RRCKMQLZGKWNPR-HNNXBMFYSA-N |
Product Overview
Thiodemecolcine (CAS 76129-11-8), with molecular formula C21H25NO4S and molecular weight 387.15 g/mol. IUPAC: (7S)-1,2,3-trimethoxy-7-(methylamino)-10-methylsulfanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one.
Chemical Property Profile of Thiodemecolcine
Property Insights of Thiodemecolcine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiodemecolcine. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiodemecolcine. Following Lipinski's Rule of Five, Thiodemecolcine has 1 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 Thiodemecolcine?
The CAS number of Thiodemecolcine is 76129-11-8.
What is the molecular formula of Thiodemecolcine?
The molecular formula of Thiodemecolcine is C21H25NO4S.
What is the molecular weight of Thiodemecolcine?
The molecular weight of Thiodemecolcine is 387.15 g/mol.
Where can I buy Thiodemecolcine?
You can request a quote for Thiodemecolcine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiodemecolcine?
Yes, KEHONG BIO provides custom synthesis services for Thiodemecolcine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.