Methyl 2-benzamido-3-(2-methoxy-2-oxoethyl)sulfanylpropanoate
TL;DR: Methyl 2-benzamido-3-(2-methoxy-2-oxoethyl)sulfanylpropanoate (CAS 6332-61-2) is a chemical compound with molecular formula C14H17NO5S and molecular weight 311.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-benzamido-3-(2-methoxy-2-oxoethyl)sulfanylpropanoate
Also Known As: methyl n-benzoyl-s-(2-methoxy-2-oxoethyl)cysteinate, methyl 2-benzamido-3-(2-methoxy-2-oxoethyl)sulfanylpropanoate
| Molecular Formula | C14H17NO5S |
|---|---|
| Molecular Weight | 311.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 311.08273 |
| Heavy Atoms | 21 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 6332-61-2 |
|---|---|
| SMILES | COC(=O)CSCC(C(=O)OC)NC(=O)C1=CC=CC=C1 |
| InChIKey | UGVRTIQVOVBKSL-UHFFFAOYSA-N |
Product Overview
Methyl 2-benzamido-3-(2-methoxy-2-oxoethyl)sulfanylpropanoate (CAS 6332-61-2), with molecular formula C14H17NO5S and molecular weight 311.08 g/mol. IUPAC: methyl 2-benzamido-3-(2-methoxy-2-oxoethyl)sulfanylpropanoate.
Chemical Property Profile of Methyl 2-benzamido-3-(2-methoxy-2-oxoethyl)sulfanylpropanoate
Property Insights of Methyl 2-benzamido-3-(2-methoxy-2-oxoethyl)sulfanylpropanoate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-benzamido-3-(2-methoxy-2-oxoethyl)sulfanylpropanoate. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-benzamido-3-(2-methoxy-2-oxoethyl)sulfanylpropanoate. Following Lipinski's Rule of Five, Methyl 2-benzamido-3-(2-methoxy-2-oxoethyl)sulfanylpropanoate has 1 hydrogen bond donor(s) and 6 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-benzamido-3-(2-methoxy-2-oxoethyl)sulfanylpropanoate?
The CAS number of Methyl 2-benzamido-3-(2-methoxy-2-oxoethyl)sulfanylpropanoate is 6332-61-2.
What is the molecular formula of Methyl 2-benzamido-3-(2-methoxy-2-oxoethyl)sulfanylpropanoate?
The molecular formula of Methyl 2-benzamido-3-(2-methoxy-2-oxoethyl)sulfanylpropanoate is C14H17NO5S.
What is the molecular weight of Methyl 2-benzamido-3-(2-methoxy-2-oxoethyl)sulfanylpropanoate?
The molecular weight of Methyl 2-benzamido-3-(2-methoxy-2-oxoethyl)sulfanylpropanoate is 311.08 g/mol.
Where can I buy Methyl 2-benzamido-3-(2-methoxy-2-oxoethyl)sulfanylpropanoate?
You can request a quote for Methyl 2-benzamido-3-(2-methoxy-2-oxoethyl)sulfanylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-benzamido-3-(2-methoxy-2-oxoethyl)sulfanylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-benzamido-3-(2-methoxy-2-oxoethyl)sulfanylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.