2-Chloroacetyl-2-demethylthiocolchicine
TL;DR: 2-Chloroacetyl-2-demethylthiocolchicine (CAS 148731-67-3) 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-1,3-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-2-yl] 2-chloroacetate
Also Known As: 2-Catc, (S)-2-Chloroacetyl-2-demethyl Thiocolchicine, 2-Chloroacetyl-2-demethylthiocolchicine, (S)-2-Chloroacetyl-2-demethylthiocolchicine, [(7S)-7-acetamido-1,3-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-2-yl] 2-chloroacetate
| 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 | 148731-67-3 |
|---|---|
| SMILES | CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC(=O)CCl)OC |
| InChIKey | WEFSQURXCINXNO-INIZCTEOSA-N |
Product Overview
2-Chloroacetyl-2-demethylthiocolchicine (CAS 148731-67-3), with molecular formula C23H24ClNO6S and molecular weight 477.10 g/mol. IUPAC: [(7S)-7-acetamido-1,3-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-2-yl] 2-chloroacetate.
Chemical Property Profile of 2-Chloroacetyl-2-demethylthiocolchicine
Property Insights of 2-Chloroacetyl-2-demethylthiocolchicine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloroacetyl-2-demethylthiocolchicine. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloroacetyl-2-demethylthiocolchicine. Following Lipinski's Rule of Five, 2-Chloroacetyl-2-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 2-Chloroacetyl-2-demethylthiocolchicine?
The CAS number of 2-Chloroacetyl-2-demethylthiocolchicine is 148731-67-3.
What is the molecular formula of 2-Chloroacetyl-2-demethylthiocolchicine?
The molecular formula of 2-Chloroacetyl-2-demethylthiocolchicine is C23H24ClNO6S.
What is the molecular weight of 2-Chloroacetyl-2-demethylthiocolchicine?
The molecular weight of 2-Chloroacetyl-2-demethylthiocolchicine is 477.10 g/mol.
Where can I buy 2-Chloroacetyl-2-demethylthiocolchicine?
You can request a quote for 2-Chloroacetyl-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-Chloroacetyl-2-demethylthiocolchicine?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroacetyl-2-demethylthiocolchicine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.