Methyl 4-(2-(methylthio)acetamido)benzoate
TL;DR: Methyl 4-(2-(methylthio)acetamido)benzoate (CAS 851111-33-6) is a chemical compound with molecular formula C11H13NO3S and molecular weight 239.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(2-methylsulfanylacetyl)amino]benzoate
Also Known As: Methyl 4-(2-(methylthio)acetamido)benzoate, methyl 4-[(2-methylsulfanylacetyl)amino]benzoate
| Molecular Formula | C11H13NO3S |
|---|---|
| Molecular Weight | 239.06 g/mol |
| LogP | 1.7747 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.06161 |
| Heavy Atoms | 16 |
| Complexity | 375.32098 |
Chemical Identifiers
| CAS Number | 851111-33-6 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CSC |
Product Overview
Methyl 4-(2-(methylthio)acetamido)benzoate (CAS 851111-33-6), with molecular formula C11H13NO3S and molecular weight 239.06 g/mol. IUPAC: methyl 4-[(2-methylsulfanylacetyl)amino]benzoate.
Chemical Property Profile of Methyl 4-(2-(methylthio)acetamido)benzoate
Property Insights of Methyl 4-(2-(methylthio)acetamido)benzoate
The XLogP value of 1.7747 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(2-(methylthio)acetamido)benzoate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 4-(2-(methylthio)acetamido)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(2-(methylthio)acetamido)benzoate has 1 hydrogen bond donor(s) and 4 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-(2-(methylthio)acetamido)benzoate?
The CAS number of Methyl 4-(2-(methylthio)acetamido)benzoate is 851111-33-6.
What is the molecular formula of Methyl 4-(2-(methylthio)acetamido)benzoate?
The molecular formula of Methyl 4-(2-(methylthio)acetamido)benzoate is C11H13NO3S.
What is the molecular weight of Methyl 4-(2-(methylthio)acetamido)benzoate?
The molecular weight of Methyl 4-(2-(methylthio)acetamido)benzoate is 239.06 g/mol.
Where can I buy Methyl 4-(2-(methylthio)acetamido)benzoate?
You can request a quote for Methyl 4-(2-(methylthio)acetamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(2-(methylthio)acetamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(2-(methylthio)acetamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.