Methyl 4-(((dimethylamino)carbonyl)thio)salicylate
TL;DR: Methyl 4-(((dimethylamino)carbonyl)thio)salicylate (CAS 94405-97-7) is a chemical compound with molecular formula C11H13NO4S and molecular weight 255.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(dimethylcarbamoylsulfanyl)-2-hydroxybenzoate
Also Known As: EINECS 305-293-1, Methyl 4-(((dimethylamino)carbonyl)thio)salicylate, METHYL 4-[[(DIMETHYLAMINO)CARBONYL]THIO]SALICYLATE, methyl 4-(dimethylcarbamoylsulfanyl)-2-hydroxybenzoate, METHYL 4-[(DIMETHYLCARBAMOYL)SULFANYL]-2-HYDROXYBENZOATE
| Molecular Formula | C11H13NO4S |
|---|---|
| Molecular Weight | 255.06 g/mol |
| LogP | 1.9525 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.05653 |
| Heavy Atoms | 17 |
| Complexity | 445.09763 |
Chemical Identifiers
| CAS Number | 94405-97-7 |
|---|---|
| SMILES | CN(C)C(=O)SC1=CC(=C(C=C1)C(=O)OC)O |
Product Overview
Methyl 4-(((dimethylamino)carbonyl)thio)salicylate (CAS 94405-97-7), with molecular formula C11H13NO4S and molecular weight 255.06 g/mol. IUPAC: methyl 4-(dimethylcarbamoylsulfanyl)-2-hydroxybenzoate.
Chemical Property Profile of Methyl 4-(((dimethylamino)carbonyl)thio)salicylate
Property Insights of Methyl 4-(((dimethylamino)carbonyl)thio)salicylate
The XLogP value of 1.9525 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(((dimethylamino)carbonyl)thio)salicylate. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(((dimethylamino)carbonyl)thio)salicylate. Following Lipinski's Rule of Five, Methyl 4-(((dimethylamino)carbonyl)thio)salicylate has 1 hydrogen bond donor(s) and 5 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 Methyl 4-(((dimethylamino)carbonyl)thio)salicylate?
The CAS number of Methyl 4-(((dimethylamino)carbonyl)thio)salicylate is 94405-97-7.
What is the molecular formula of Methyl 4-(((dimethylamino)carbonyl)thio)salicylate?
The molecular formula of Methyl 4-(((dimethylamino)carbonyl)thio)salicylate is C11H13NO4S.
What is the molecular weight of Methyl 4-(((dimethylamino)carbonyl)thio)salicylate?
The molecular weight of Methyl 4-(((dimethylamino)carbonyl)thio)salicylate is 255.06 g/mol.
Where can I buy Methyl 4-(((dimethylamino)carbonyl)thio)salicylate?
You can request a quote for Methyl 4-(((dimethylamino)carbonyl)thio)salicylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(((dimethylamino)carbonyl)thio)salicylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(((dimethylamino)carbonyl)thio)salicylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.