![Methyl 2-[(4-phenylbenzoyl)carbamothioylamino]benzoate structure](/static/products/3308/330833-16-4.webp)
Methyl 2-[(4-phenylbenzoyl)carbamothioylamino]benzoate
TL;DR: Methyl 2-[(4-phenylbenzoyl)carbamothioylamino]benzoate (CAS 330833-16-4) is a chemical compound with molecular formula C22H18N2O3S and molecular weight 390.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-phenylbenzoyl)carbamothioylamino]benzoate
Also Known As: methyl 2-[(4-phenylbenzoyl)carbamothioylamino]benzoate, AN-329/40735440, methyl 2-{[(biphenyl-4-ylcarbonyl)carbamothioyl]amino}benzoate, methyl 2-({[(4-biphenylylcarbonyl)amino]carbonothioyl}amino)benzoate, methyl 2-(3-([1,1'-biphenyl]-4-carbonyl)thioureido)benzoate
| Molecular Formula | C22H18N2O3S |
|---|---|
| Molecular Weight | 390.10 g/mol |
| LogP | 4.267 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.10382 |
| Heavy Atoms | 28 |
| Complexity | 1001.8052 |
Chemical Identifiers
| CAS Number | 330833-16-4 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3 |
Product Overview
Methyl 2-[(4-phenylbenzoyl)carbamothioylamino]benzoate (CAS 330833-16-4), with molecular formula C22H18N2O3S and molecular weight 390.10 g/mol. IUPAC: methyl 2-[(4-phenylbenzoyl)carbamothioylamino]benzoate.
Chemical Property Profile of Methyl 2-[(4-phenylbenzoyl)carbamothioylamino]benzoate
Property Insights of Methyl 2-[(4-phenylbenzoyl)carbamothioylamino]benzoate
The XLogP value of 4.267 indicates that Methyl 2-[(4-phenylbenzoyl)carbamothioylamino]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-[(4-phenylbenzoyl)carbamothioylamino]benzoate. Following Lipinski's Rule of Five, Methyl 2-[(4-phenylbenzoyl)carbamothioylamino]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-[(4-phenylbenzoyl)carbamothioylamino]benzoate?
The CAS number of Methyl 2-[(4-phenylbenzoyl)carbamothioylamino]benzoate is 330833-16-4.
What is the molecular formula of Methyl 2-[(4-phenylbenzoyl)carbamothioylamino]benzoate?
The molecular formula of Methyl 2-[(4-phenylbenzoyl)carbamothioylamino]benzoate is C22H18N2O3S.
What is the molecular weight of Methyl 2-[(4-phenylbenzoyl)carbamothioylamino]benzoate?
The molecular weight of Methyl 2-[(4-phenylbenzoyl)carbamothioylamino]benzoate is 390.10 g/mol.
Where can I buy Methyl 2-[(4-phenylbenzoyl)carbamothioylamino]benzoate?
You can request a quote for Methyl 2-[(4-phenylbenzoyl)carbamothioylamino]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-phenylbenzoyl)carbamothioylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(4-phenylbenzoyl)carbamothioylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.