![methyl 2-{[N-(3-methoxyphenyl)carbamoyl]methylthio}benzoate structure](/static/products/1323/132390-52-4.webp)
methyl 2-{[N-(3-methoxyphenyl)carbamoyl]methylthio}benzoate
TL;DR: methyl 2-{[N-(3-methoxyphenyl)carbamoyl]methylthio}benzoate (CAS 132390-52-4) is a chemical compound with molecular formula C17H17NO4S and molecular weight 331.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzoate
Also Known As: A3765/0159675, methyl 2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzoate, methyl 2-{[N-(3-methoxyphenyl)carbamoyl]methylthio}benzoate, methyl 2-((2-((3-methoxyphenyl)amino)-2-oxoethyl)thio)benzoate, methyl 2-({2-[(3-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)benzoate
| Molecular Formula | C17H17NO4S |
|---|---|
| Molecular Weight | 331.09 g/mol |
| LogP | 3.2126 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.08783 |
| Heavy Atoms | 23 |
| Complexity | 702.4977 |
Chemical Identifiers
| CAS Number | 132390-52-4 |
|---|---|
| SMILES | COC1=CC=CC(=C1)NC(=O)CSC2=CC=CC=C2C(=O)OC |
Product Overview
methyl 2-{[N-(3-methoxyphenyl)carbamoyl]methylthio}benzoate (CAS 132390-52-4), with molecular formula C17H17NO4S and molecular weight 331.09 g/mol. IUPAC: methyl 2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzoate.
Chemical Property Profile of methyl 2-{[N-(3-methoxyphenyl)carbamoyl]methylthio}benzoate
Property Insights of methyl 2-{[N-(3-methoxyphenyl)carbamoyl]methylthio}benzoate
The XLogP value of 3.2126 indicates that methyl 2-{[N-(3-methoxyphenyl)carbamoyl]methylthio}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-{[N-(3-methoxyphenyl)carbamoyl]methylthio}benzoate. Following Lipinski's Rule of Five, methyl 2-{[N-(3-methoxyphenyl)carbamoyl]methylthio}benzoate 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 2-{[N-(3-methoxyphenyl)carbamoyl]methylthio}benzoate?
The CAS number of methyl 2-{[N-(3-methoxyphenyl)carbamoyl]methylthio}benzoate is 132390-52-4.
What is the molecular formula of methyl 2-{[N-(3-methoxyphenyl)carbamoyl]methylthio}benzoate?
The molecular formula of methyl 2-{[N-(3-methoxyphenyl)carbamoyl]methylthio}benzoate is C17H17NO4S.
What is the molecular weight of methyl 2-{[N-(3-methoxyphenyl)carbamoyl]methylthio}benzoate?
The molecular weight of methyl 2-{[N-(3-methoxyphenyl)carbamoyl]methylthio}benzoate is 331.09 g/mol.
Where can I buy methyl 2-{[N-(3-methoxyphenyl)carbamoyl]methylthio}benzoate?
You can request a quote for methyl 2-{[N-(3-methoxyphenyl)carbamoyl]methylthio}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-{[N-(3-methoxyphenyl)carbamoyl]methylthio}benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-{[N-(3-methoxyphenyl)carbamoyl]methylthio}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.