Methyl 2-(((benzoylamino)acetyl)amino)-3-(benzylthio)propanoate
TL;DR: Methyl 2-(((benzoylamino)acetyl)amino)-3-(benzylthio)propanoate (CAS 16766-91-9) is a chemical compound with molecular formula C20H22N2O4S and molecular weight 386.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2-benzamidoacetyl)amino]-3-benzylsulfanylpropanoate
Also Known As: methyl n-benzoylglycyl-s-benzylcysteinate, Methyl 2-(((benzoylamino)acetyl)amino)-3-(benzylthio)propanoate, methyl 2-[(2-benzamidoacetyl)amino]-3-benzylsulfanylpropanoate, METHYL 2-[(2-BENZAMIDOACETYL)AMINO]-3-BENZYLSULFANYL-PROPANOATE
| Molecular Formula | C20H22N2O4S |
|---|---|
| Molecular Weight | 386.13 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 386.13004 |
| Heavy Atoms | 27 |
| Complexity | 488.0 |
Chemical Identifiers
| CAS Number | 16766-91-9 |
|---|---|
| SMILES | COC(=O)C(CSCC1=CC=CC=C1)NC(=O)CNC(=O)C2=CC=CC=C2 |
| InChIKey | FNOZNSDJVDDDGI-UHFFFAOYSA-N |
Product Overview
Methyl 2-(((benzoylamino)acetyl)amino)-3-(benzylthio)propanoate (CAS 16766-91-9), with molecular formula C20H22N2O4S and molecular weight 386.13 g/mol. IUPAC: methyl 2-[(2-benzamidoacetyl)amino]-3-benzylsulfanylpropanoate.
Chemical Property Profile of Methyl 2-(((benzoylamino)acetyl)amino)-3-(benzylthio)propanoate
Property Insights of Methyl 2-(((benzoylamino)acetyl)amino)-3-(benzylthio)propanoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(((benzoylamino)acetyl)amino)-3-(benzylthio)propanoate. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(((benzoylamino)acetyl)amino)-3-(benzylthio)propanoate. Following Lipinski's Rule of Five, Methyl 2-(((benzoylamino)acetyl)amino)-3-(benzylthio)propanoate has 2 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-(((benzoylamino)acetyl)amino)-3-(benzylthio)propanoate?
The CAS number of Methyl 2-(((benzoylamino)acetyl)amino)-3-(benzylthio)propanoate is 16766-91-9.
What is the molecular formula of Methyl 2-(((benzoylamino)acetyl)amino)-3-(benzylthio)propanoate?
The molecular formula of Methyl 2-(((benzoylamino)acetyl)amino)-3-(benzylthio)propanoate is C20H22N2O4S.
What is the molecular weight of Methyl 2-(((benzoylamino)acetyl)amino)-3-(benzylthio)propanoate?
The molecular weight of Methyl 2-(((benzoylamino)acetyl)amino)-3-(benzylthio)propanoate is 386.13 g/mol.
Where can I buy Methyl 2-(((benzoylamino)acetyl)amino)-3-(benzylthio)propanoate?
You can request a quote for Methyl 2-(((benzoylamino)acetyl)amino)-3-(benzylthio)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(((benzoylamino)acetyl)amino)-3-(benzylthio)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(((benzoylamino)acetyl)amino)-3-(benzylthio)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.