![Methyl 2-[(3-{[(benzylthio)acetyl]amino}-2-methylbenzoyl)amino]benzoate structure](/static/products/832/832679-92-2.png)
Methyl 2-[(3-{[(benzylthio)acetyl]amino}-2-methylbenzoyl)amino]benzoate
TL;DR: Methyl 2-[(3-{[(benzylthio)acetyl]amino}-2-methylbenzoyl)amino]benzoate (CAS 832679-92-2) is a chemical compound with molecular formula C25H24N2O4S and molecular weight 448.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[3-[(2-benzylsulfanylacetyl)amino]-2-methylbenzoyl]amino]benzoate
Also Known As: methyl 2-(3-(2-(benzylthio)acetamido)-2-methylbenzamido)benzoate, methyl 2-{[(3-{[(benzylsulfanyl)acetyl]amino}-2-methylphenyl)carbonyl]amino}benzoate, methyl 2-[(3-{[(benzylthio)acetyl]amino}-2-methylbenzoyl)amino]benzoate, methyl 2-[[3-[(2-benzylsulfanylacetyl)amino]-2-methylbenzoyl]amino]benzoate
| Molecular Formula | C25H24N2O4S |
|---|---|
| Molecular Weight | 448.15 g/mol |
| LogP | 4.90582 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 448.1457 |
| Heavy Atoms | 32 |
| Complexity | 1115.9346 |
Chemical Identifiers
| CAS Number | 832679-92-2 |
|---|---|
| SMILES | CC1=C(C=CC=C1NC(=O)CSCC2=CC=CC=C2)C(=O)NC3=CC=CC=C3C(=O)OC |
Product Overview
Methyl 2-[(3-{[(benzylthio)acetyl]amino}-2-methylbenzoyl)amino]benzoate (CAS 832679-92-2), with molecular formula C25H24N2O4S and molecular weight 448.15 g/mol. IUPAC: methyl 2-[[3-[(2-benzylsulfanylacetyl)amino]-2-methylbenzoyl]amino]benzoate.
Chemical Property Profile of Methyl 2-[(3-{[(benzylthio)acetyl]amino}-2-methylbenzoyl)amino]benzoate
Property Insights of Methyl 2-[(3-{[(benzylthio)acetyl]amino}-2-methylbenzoyl)amino]benzoate
The XLogP value of 4.90582 indicates that Methyl 2-[(3-{[(benzylthio)acetyl]amino}-2-methylbenzoyl)amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[(3-{[(benzylthio)acetyl]amino}-2-methylbenzoyl)amino]benzoate. Following Lipinski's Rule of Five, Methyl 2-[(3-{[(benzylthio)acetyl]amino}-2-methylbenzoyl)amino]benzoate 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-[(3-{[(benzylthio)acetyl]amino}-2-methylbenzoyl)amino]benzoate?
The CAS number of Methyl 2-[(3-{[(benzylthio)acetyl]amino}-2-methylbenzoyl)amino]benzoate is 832679-92-2.
What is the molecular formula of Methyl 2-[(3-{[(benzylthio)acetyl]amino}-2-methylbenzoyl)amino]benzoate?
The molecular formula of Methyl 2-[(3-{[(benzylthio)acetyl]amino}-2-methylbenzoyl)amino]benzoate is C25H24N2O4S.
What is the molecular weight of Methyl 2-[(3-{[(benzylthio)acetyl]amino}-2-methylbenzoyl)amino]benzoate?
The molecular weight of Methyl 2-[(3-{[(benzylthio)acetyl]amino}-2-methylbenzoyl)amino]benzoate is 448.15 g/mol.
Where can I buy Methyl 2-[(3-{[(benzylthio)acetyl]amino}-2-methylbenzoyl)amino]benzoate?
You can request a quote for Methyl 2-[(3-{[(benzylthio)acetyl]amino}-2-methylbenzoyl)amino]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-[(3-{[(benzylthio)acetyl]amino}-2-methylbenzoyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(3-{[(benzylthio)acetyl]amino}-2-methylbenzoyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.