![3-{[(Diphenylacetyl)carbamothioyl]amino}-2-methylbenzoic acid structure](/static/products/4342/434288-33-2.webp)
3-{[(Diphenylacetyl)carbamothioyl]amino}-2-methylbenzoic acid
TL;DR: 3-{[(Diphenylacetyl)carbamothioyl]amino}-2-methylbenzoic acid (CAS 434288-33-2) 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.
3-[(2,2-diphenylacetyl)carbamothioylamino]-2-methylbenzoic acid
Also Known As: 3-{[(diphenylacetyl)carbamothioyl]amino}-2-methylbenzoic acid, 3-({[(diphenylacetyl)amino]carbonothioyl}amino)-2-methylbenzoic acid, 3-(3-(2,2-diphenylacetyl)thioureido)-2-methylbenzoic acid, 3-[[[ AMINO]THIOXOMETHYL]AMINO]-4-METHYL-BENZOICACID, 3-[(2,2-diphenylacetyl)carbamothioylamino]-2-methylbenzoic acid
| Molecular Formula | C23H20N2O3S |
|---|---|
| Molecular Weight | 404.12 g/mol |
| LogP | 4.33832 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.11948 |
| Heavy Atoms | 29 |
| Complexity | 997.0033 |
Chemical Identifiers
| CAS Number | 434288-33-2 |
|---|---|
| SMILES | CC1=C(C=CC=C1NC(=S)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O |
Product Overview
3-{[(Diphenylacetyl)carbamothioyl]amino}-2-methylbenzoic acid (CAS 434288-33-2), with molecular formula C23H20N2O3S and molecular weight 404.12 g/mol. IUPAC: 3-[(2,2-diphenylacetyl)carbamothioylamino]-2-methylbenzoic acid.
Chemical Property Profile of 3-{[(Diphenylacetyl)carbamothioyl]amino}-2-methylbenzoic acid
Property Insights of 3-{[(Diphenylacetyl)carbamothioyl]amino}-2-methylbenzoic acid
The XLogP value of 4.33832 indicates that 3-{[(Diphenylacetyl)carbamothioyl]amino}-2-methylbenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[(Diphenylacetyl)carbamothioyl]amino}-2-methylbenzoic acid. Following Lipinski's Rule of Five, 3-{[(Diphenylacetyl)carbamothioyl]amino}-2-methylbenzoic acid has 3 hydrogen bond donor(s) and 3 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 3-{[(Diphenylacetyl)carbamothioyl]amino}-2-methylbenzoic acid?
The CAS number of 3-{[(Diphenylacetyl)carbamothioyl]amino}-2-methylbenzoic acid is 434288-33-2.
What is the molecular formula of 3-{[(Diphenylacetyl)carbamothioyl]amino}-2-methylbenzoic acid?
The molecular formula of 3-{[(Diphenylacetyl)carbamothioyl]amino}-2-methylbenzoic acid is C23H20N2O3S.
What is the molecular weight of 3-{[(Diphenylacetyl)carbamothioyl]amino}-2-methylbenzoic acid?
The molecular weight of 3-{[(Diphenylacetyl)carbamothioyl]amino}-2-methylbenzoic acid is 404.12 g/mol.
Where can I buy 3-{[(Diphenylacetyl)carbamothioyl]amino}-2-methylbenzoic acid?
You can request a quote for 3-{[(Diphenylacetyl)carbamothioyl]amino}-2-methylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[(Diphenylacetyl)carbamothioyl]amino}-2-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(Diphenylacetyl)carbamothioyl]amino}-2-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.