![Methyl 2-{[(4-{[(phenylsulfanyl)acetyl]amino}phenyl)carbonyl]amino}benzoate structure](/static/products/7090/709012-91-9.webp)
Methyl 2-{[(4-{[(phenylsulfanyl)acetyl]amino}phenyl)carbonyl]amino}benzoate
TL;DR: Methyl 2-{[(4-{[(phenylsulfanyl)acetyl]amino}phenyl)carbonyl]amino}benzoate (CAS 709012-91-9) is a chemical compound with molecular formula C23H20N2O4S and molecular weight 420.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-[(2-phenylsulfanylacetyl)amino]benzoyl]amino]benzoate
Also Known As: CBKinase1_008260, CBKinase1_020660, BRD-K57008841-001-01-1, methyl 2-(4-(2-(phenylthio)acetamido)benzamido)benzoate, Methyl 2-[[4-[(2-phenylsulfanylacetyl)amino]benzoyl]amino]benzoate
| Molecular Formula | C23H20N2O4S |
|---|---|
| Molecular Weight | 420.11 g/mol |
| LogP | 4.4563 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 420.11438 |
| Heavy Atoms | 30 |
| Complexity | 1036.5835 |
Chemical Identifiers
| CAS Number | 709012-91-9 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=CC=CC=C3 |
Product Overview
Methyl 2-{[(4-{[(phenylsulfanyl)acetyl]amino}phenyl)carbonyl]amino}benzoate (CAS 709012-91-9), with molecular formula C23H20N2O4S and molecular weight 420.11 g/mol. IUPAC: methyl 2-[[4-[(2-phenylsulfanylacetyl)amino]benzoyl]amino]benzoate.
Chemical Property Profile of Methyl 2-{[(4-{[(phenylsulfanyl)acetyl]amino}phenyl)carbonyl]amino}benzoate
Property Insights of Methyl 2-{[(4-{[(phenylsulfanyl)acetyl]amino}phenyl)carbonyl]amino}benzoate
The XLogP value of 4.4563 indicates that Methyl 2-{[(4-{[(phenylsulfanyl)acetyl]amino}phenyl)carbonyl]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-{[(4-{[(phenylsulfanyl)acetyl]amino}phenyl)carbonyl]amino}benzoate. Following Lipinski's Rule of Five, Methyl 2-{[(4-{[(phenylsulfanyl)acetyl]amino}phenyl)carbonyl]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-{[(4-{[(phenylsulfanyl)acetyl]amino}phenyl)carbonyl]amino}benzoate?
The CAS number of Methyl 2-{[(4-{[(phenylsulfanyl)acetyl]amino}phenyl)carbonyl]amino}benzoate is 709012-91-9.
What is the molecular formula of Methyl 2-{[(4-{[(phenylsulfanyl)acetyl]amino}phenyl)carbonyl]amino}benzoate?
The molecular formula of Methyl 2-{[(4-{[(phenylsulfanyl)acetyl]amino}phenyl)carbonyl]amino}benzoate is C23H20N2O4S.
What is the molecular weight of Methyl 2-{[(4-{[(phenylsulfanyl)acetyl]amino}phenyl)carbonyl]amino}benzoate?
The molecular weight of Methyl 2-{[(4-{[(phenylsulfanyl)acetyl]amino}phenyl)carbonyl]amino}benzoate is 420.11 g/mol.
Where can I buy Methyl 2-{[(4-{[(phenylsulfanyl)acetyl]amino}phenyl)carbonyl]amino}benzoate?
You can request a quote for Methyl 2-{[(4-{[(phenylsulfanyl)acetyl]amino}phenyl)carbonyl]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-{[(4-{[(phenylsulfanyl)acetyl]amino}phenyl)carbonyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-{[(4-{[(phenylsulfanyl)acetyl]amino}phenyl)carbonyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.