3-Chloroacetyl-3-demethylthiocolchicine
TL;DR: 3-Chloroacetyl-3-demethylthiocolchicine (CAS 148731-66-2) is a chemical compound with molecular formula C23H24ClNO6S and molecular weight 477.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(7S)-7-acetamido-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl] 2-chloroacetate
Also Known As: 3-Catc, 3-Chloroacetyl-3-demethylthiocolchicine, [(7S)-7-acetamido-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl] 2-chloroacetate, (7S)-7-Acetamido-1,2-dimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-3-yl chloroacetate, Acetic acid, chloro-, 7-(acetylamino)-5,6,7,9-tetrahydro-1,2-dimethoxy-10-(methylthio)-9-oxobenzo(a)heptalen-3-yl ester, (S)-
| Molecular Formula | C23H24ClNO6S |
|---|---|
| Molecular Weight | 477.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 477.1013 |
| Heavy Atoms | 32 |
| Complexity | 853.0 |
Chemical Identifiers
| CAS Number | 148731-66-2 |
|---|---|
| SMILES | CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC(=O)CCl |
| InChIKey | KXBYMXNKGWHCBS-INIZCTEOSA-N |
Product Overview
3-Chloroacetyl-3-demethylthiocolchicine (CAS 148731-66-2), with molecular formula C23H24ClNO6S and molecular weight 477.10 g/mol. IUPAC: [(7S)-7-acetamido-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl] 2-chloroacetate.
Chemical Property Profile of 3-Chloroacetyl-3-demethylthiocolchicine
Property Insights of 3-Chloroacetyl-3-demethylthiocolchicine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloroacetyl-3-demethylthiocolchicine. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chloroacetyl-3-demethylthiocolchicine. Following Lipinski's Rule of Five, 3-Chloroacetyl-3-demethylthiocolchicine has 1 hydrogen bond donor(s) and 7 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 3-Chloroacetyl-3-demethylthiocolchicine?
The CAS number of 3-Chloroacetyl-3-demethylthiocolchicine is 148731-66-2.
What is the molecular formula of 3-Chloroacetyl-3-demethylthiocolchicine?
The molecular formula of 3-Chloroacetyl-3-demethylthiocolchicine is C23H24ClNO6S.
What is the molecular weight of 3-Chloroacetyl-3-demethylthiocolchicine?
The molecular weight of 3-Chloroacetyl-3-demethylthiocolchicine is 477.10 g/mol.
Where can I buy 3-Chloroacetyl-3-demethylthiocolchicine?
You can request a quote for 3-Chloroacetyl-3-demethylthiocolchicine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloroacetyl-3-demethylthiocolchicine?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloroacetyl-3-demethylthiocolchicine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.