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Methyl 2-{[(diphenylacetyl)carbamothioyl]amino}benzoate
TL;DR: Methyl 2-{[(diphenylacetyl)carbamothioyl]amino}benzoate (CAS 429643-37-8) is a chemical compound with molecular formula C23H20N2O3S and molecular weight 404.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2,2-diphenylacetyl)carbamothioylamino]benzoate
Also Known As: methyl 2-{[(diphenylacetyl)carbamothioyl]amino}benzoate, methyl 2-[(2,2-diphenylacetyl)carbamothioylamino]benzoate, methyl 2-(3-(2,2-diphenylacetyl)thioureido)benzoate, methyl 2-({[(diphenylacetyl)amino]carbothioyl}amino)benzoate
| Molecular Formula | C23H20N2O3S |
|---|---|
| Molecular Weight | 404.12 g/mol |
| LogP | 4.1183 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.11948 |
| Heavy Atoms | 29 |
| Complexity | 967.4011 |
Chemical Identifiers
| CAS Number | 429643-37-8 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=S)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 |
Product Overview
Methyl 2-{[(diphenylacetyl)carbamothioyl]amino}benzoate (CAS 429643-37-8), with molecular formula C23H20N2O3S and molecular weight 404.12 g/mol. IUPAC: methyl 2-[(2,2-diphenylacetyl)carbamothioylamino]benzoate.
Chemical Property Profile of Methyl 2-{[(diphenylacetyl)carbamothioyl]amino}benzoate
Property Insights of Methyl 2-{[(diphenylacetyl)carbamothioyl]amino}benzoate
The XLogP value of 4.1183 indicates that Methyl 2-{[(diphenylacetyl)carbamothioyl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-{[(diphenylacetyl)carbamothioyl]amino}benzoate. Following Lipinski's Rule of Five, Methyl 2-{[(diphenylacetyl)carbamothioyl]amino}benzoate has 2 hydrogen bond donor(s) and 4 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-{[(diphenylacetyl)carbamothioyl]amino}benzoate?
The CAS number of Methyl 2-{[(diphenylacetyl)carbamothioyl]amino}benzoate is 429643-37-8.
What is the molecular formula of Methyl 2-{[(diphenylacetyl)carbamothioyl]amino}benzoate?
The molecular formula of Methyl 2-{[(diphenylacetyl)carbamothioyl]amino}benzoate is C23H20N2O3S.
What is the molecular weight of Methyl 2-{[(diphenylacetyl)carbamothioyl]amino}benzoate?
The molecular weight of Methyl 2-{[(diphenylacetyl)carbamothioyl]amino}benzoate is 404.12 g/mol.
Where can I buy Methyl 2-{[(diphenylacetyl)carbamothioyl]amino}benzoate?
You can request a quote for Methyl 2-{[(diphenylacetyl)carbamothioyl]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-{[(diphenylacetyl)carbamothioyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-{[(diphenylacetyl)carbamothioyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.