![Benzoic acid, 4-[[[(phenylacetyl)amino]thioxomethyl]amino]- structure](/static/products/879/87998-89-8.png)
Benzoic acid, 4-[[[(phenylacetyl)amino]thioxomethyl]amino]-
TL;DR: Benzoic acid, 4-[[[(phenylacetyl)amino]thioxomethyl]amino]- (CAS 87998-89-8) 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.
4-[(2-phenylacetyl)carbamothioylamino]benzoic acid
Also Known As: 4-[(2-phenylacetyl)carbamothioylamino]benzoic acid, Benzoic acid, 4-[[[(phenylacetyl)amino]thioxomethyl]amino]-, 4-[(2-phenylacetyl)thiocarbamoylamino]benzoic Acid, 4-{[(Phenylacetyl)carbamothioyl]amino}benzoic acid, 4-[[[ AMINO]THIOXOMETHYL]AMINO]-BENZOICACID
| 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 | 684.29694 |
Chemical Identifiers
| CAS Number | 87998-89-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)O |
Product Overview
Benzoic acid, 4-[[[(phenylacetyl)amino]thioxomethyl]amino]- (CAS 87998-89-8), with molecular formula C16H14N2O3S and molecular weight 314.07 g/mol. IUPAC: 4-[(2-phenylacetyl)carbamothioylamino]benzoic acid.
Chemical Property Profile of Benzoic acid, 4-[[[(phenylacetyl)amino]thioxomethyl]amino]-
Property Insights of Benzoic acid, 4-[[[(phenylacetyl)amino]thioxomethyl]amino]-
The XLogP value of 2.4405 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-[[[(phenylacetyl)amino]thioxomethyl]amino]-. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-[[[(phenylacetyl)amino]thioxomethyl]amino]-. Following Lipinski's Rule of Five, Benzoic acid, 4-[[[(phenylacetyl)amino]thioxomethyl]amino]- 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 Benzoic acid, 4-[[[(phenylacetyl)amino]thioxomethyl]amino]-?
The CAS number of Benzoic acid, 4-[[[(phenylacetyl)amino]thioxomethyl]amino]- is 87998-89-8.
What is the molecular formula of Benzoic acid, 4-[[[(phenylacetyl)amino]thioxomethyl]amino]-?
The molecular formula of Benzoic acid, 4-[[[(phenylacetyl)amino]thioxomethyl]amino]- is C16H14N2O3S.
What is the molecular weight of Benzoic acid, 4-[[[(phenylacetyl)amino]thioxomethyl]amino]-?
The molecular weight of Benzoic acid, 4-[[[(phenylacetyl)amino]thioxomethyl]amino]- is 314.07 g/mol.
Where can I buy Benzoic acid, 4-[[[(phenylacetyl)amino]thioxomethyl]amino]-?
You can request a quote for Benzoic acid, 4-[[[(phenylacetyl)amino]thioxomethyl]amino]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-[[[(phenylacetyl)amino]thioxomethyl]amino]-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-[[[(phenylacetyl)amino]thioxomethyl]amino]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.