2-Demethylthiocolchicine
TL;DR: 2-Demethylthiocolchicine (CAS 87424-26-8) is a chemical compound with molecular formula C21H23NO5S and molecular weight 401.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(7S)-2-hydroxy-1,3-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
Also Known As: 2-Demethylthiocolchicine, 2-Demethyl Thiocolchicine, Thiocolchicine analog, O2-Demethyl-10-thiocolchicine, O(sup 2)-Demethyl-10-thiocolchicine
| Molecular Formula | C21H23NO5S |
|---|---|
| Molecular Weight | 401.13 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.1297 |
| Heavy Atoms | 28 |
| Complexity | 728.0 |
Chemical Identifiers
| CAS Number | 87424-26-8 |
|---|---|
| SMILES | CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)O)OC |
| InChIKey | OMQLBXIHBJAOIO-HNNXBMFYSA-N |
Product Overview
2-Demethylthiocolchicine (CAS 87424-26-8), with molecular formula C21H23NO5S and molecular weight 401.13 g/mol. IUPAC: N-[(7S)-2-hydroxy-1,3-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide.
Chemical Property Profile of 2-Demethylthiocolchicine
Property Insights of 2-Demethylthiocolchicine
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Demethylthiocolchicine. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Demethylthiocolchicine. Following Lipinski's Rule of Five, 2-Demethylthiocolchicine has 2 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 2-Demethylthiocolchicine?
The CAS number of 2-Demethylthiocolchicine is 87424-26-8.
What is the molecular formula of 2-Demethylthiocolchicine?
The molecular formula of 2-Demethylthiocolchicine is C21H23NO5S.
What is the molecular weight of 2-Demethylthiocolchicine?
The molecular weight of 2-Demethylthiocolchicine is 401.13 g/mol.
Where can I buy 2-Demethylthiocolchicine?
You can request a quote for 2-Demethylthiocolchicine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Demethylthiocolchicine?
Yes, KEHONG BIO provides custom synthesis services for 2-Demethylthiocolchicine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.