Methyl 2-amino-3-benzoylsulfanylpropanoate
TL;DR: Methyl 2-amino-3-benzoylsulfanylpropanoate (CAS 5673-88-1) 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 2-amino-3-benzoylsulfanylpropanoate
Also Known As: Methyl S-benzoylcysteinate, NCIOpen2_006349, methyl 2-amino-3-benzoylsulfanylpropanoate, METHYL 2-AMINO-3-BENZOYLSULFANYL-PROPANOATE
| Molecular Formula | C11H13NO3S |
|---|---|
| Molecular Weight | 239.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 94.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 239.06161 |
| Heavy Atoms | 16 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 5673-88-1 |
|---|---|
| SMILES | COC(=O)C(CSC(=O)C1=CC=CC=C1)N |
| InChIKey | URMGJDUHFXBVIE-UHFFFAOYSA-N |
Product Overview
Methyl 2-amino-3-benzoylsulfanylpropanoate (CAS 5673-88-1), with molecular formula C11H13NO3S and molecular weight 239.06 g/mol. IUPAC: methyl 2-amino-3-benzoylsulfanylpropanoate.
Chemical Property Profile of Methyl 2-amino-3-benzoylsulfanylpropanoate
Property Insights of Methyl 2-amino-3-benzoylsulfanylpropanoate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-amino-3-benzoylsulfanylpropanoate. The TPSA of 94.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-amino-3-benzoylsulfanylpropanoate. Following Lipinski's Rule of Five, Methyl 2-amino-3-benzoylsulfanylpropanoate 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-amino-3-benzoylsulfanylpropanoate?
The CAS number of Methyl 2-amino-3-benzoylsulfanylpropanoate is 5673-88-1.
What is the molecular formula of Methyl 2-amino-3-benzoylsulfanylpropanoate?
The molecular formula of Methyl 2-amino-3-benzoylsulfanylpropanoate is C11H13NO3S.
What is the molecular weight of Methyl 2-amino-3-benzoylsulfanylpropanoate?
The molecular weight of Methyl 2-amino-3-benzoylsulfanylpropanoate is 239.06 g/mol.
Where can I buy Methyl 2-amino-3-benzoylsulfanylpropanoate?
You can request a quote for Methyl 2-amino-3-benzoylsulfanylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-amino-3-benzoylsulfanylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-amino-3-benzoylsulfanylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.