![3-{[(Phenylacetyl)carbamothioyl]amino}benzoic acid structure](/static/products/4339/433967-43-2.webp)
3-{[(Phenylacetyl)carbamothioyl]amino}benzoic acid
TL;DR: 3-{[(Phenylacetyl)carbamothioyl]amino}benzoic acid (CAS 433967-43-2) is a chemical compound with molecular formula C16H14N2O3S and molecular weight 314.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-phenylacetyl)carbamothioylamino]benzoic acid
Also Known As: 3-{[(phenylacetyl)carbamothioyl]amino}benzoic acid, 3-[(2-phenylacetyl)carbamothioylamino]benzoic acid, 3-[(2-phenylacetyl)thiocarbamoylamino]benzoic Acid
| Molecular Formula | C16H14N2O3S |
|---|---|
| Molecular Weight | 314.07 g/mol |
| LogP | 2.4405 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.0725 |
| Heavy Atoms | 22 |
| Complexity | 701.54694 |
Chemical Identifiers
| CAS Number | 433967-43-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(=O)NC(=S)NC2=CC=CC(=C2)C(=O)O |
Product Overview
3-{[(Phenylacetyl)carbamothioyl]amino}benzoic acid (CAS 433967-43-2), with molecular formula C16H14N2O3S and molecular weight 314.07 g/mol. IUPAC: 3-[(2-phenylacetyl)carbamothioylamino]benzoic acid.
Chemical Property Profile of 3-{[(Phenylacetyl)carbamothioyl]amino}benzoic acid
Property Insights of 3-{[(Phenylacetyl)carbamothioyl]amino}benzoic acid
The XLogP value of 2.4405 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[(Phenylacetyl)carbamothioyl]amino}benzoic acid. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[(Phenylacetyl)carbamothioyl]amino}benzoic acid. Following Lipinski's Rule of Five, 3-{[(Phenylacetyl)carbamothioyl]amino}benzoic 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-{[(Phenylacetyl)carbamothioyl]amino}benzoic acid?
The CAS number of 3-{[(Phenylacetyl)carbamothioyl]amino}benzoic acid is 433967-43-2.
What is the molecular formula of 3-{[(Phenylacetyl)carbamothioyl]amino}benzoic acid?
The molecular formula of 3-{[(Phenylacetyl)carbamothioyl]amino}benzoic acid is C16H14N2O3S.
What is the molecular weight of 3-{[(Phenylacetyl)carbamothioyl]amino}benzoic acid?
The molecular weight of 3-{[(Phenylacetyl)carbamothioyl]amino}benzoic acid is 314.07 g/mol.
Where can I buy 3-{[(Phenylacetyl)carbamothioyl]amino}benzoic acid?
You can request a quote for 3-{[(Phenylacetyl)carbamothioyl]amino}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[(Phenylacetyl)carbamothioyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(Phenylacetyl)carbamothioyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.