7-Demethylthiocholchicine
TL;DR: 7-Demethylthiocholchicine (CAS 2731-23-9) is a chemical compound with molecular formula C21H23NO5S and molecular weight 401.1297 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]formamide
Also Known As: 7-Demethylthiocholchicine, N-(Formyldeacetyl)thiocolchicine, N-Deacetyl-N-formyl-10-thiocolchicine, COLCHICINE, N-DEACETYL-N-FORMYL-10-THIO-, J1.028.556I
Technical Specifications
| Molecular Formula | C21H23NO5S |
| Molecular Weight | 401.1297 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 99.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.1297 Da |
| Heavy Atoms | 28 |
| Complexity | 701.0 |
| SMILES | COC1=C(C(=C2C(=C1)CC[C@@H](C3=CC(=O)C(=CC=C32)SC)NC=O)OC)OC |
| InChIKey | QWMGUEXZTDFFTR-HNNXBMFYSA-N |
Chemical Property Profile of 7-Demethylthiocholchicine
Property Insights of 7-Demethylthiocholchicine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Demethylthiocholchicine. The TPSA of 99.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Demethylthiocholchicine. Following Lipinski's Rule of Five, 7-Demethylthiocholchicine 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
What is the CAS number of 7-Demethylthiocholchicine?
The CAS number of 7-Demethylthiocholchicine is 2731-23-9.
What is the molecular formula of 7-Demethylthiocholchicine?
The molecular formula of 7-Demethylthiocholchicine is C21H23NO5S.
What is the molecular weight of 7-Demethylthiocholchicine?
The molecular weight of 7-Demethylthiocholchicine is 401.1297 g/mol.
Where can I buy 7-Demethylthiocholchicine?
You can request a quote for 7-Demethylthiocholchicine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-Demethylthiocholchicine?
Yes, CoreyChem provides custom synthesis services for 7-Demethylthiocholchicine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.