![Benzoic acid, 5-bromo-2-[[[(2-phenylacetyl)amino]thioxomethyl]amino]- structure](/static/products/5324/532430-59-4.webp)
Benzoic acid, 5-bromo-2-[[[(2-phenylacetyl)amino]thioxomethyl]amino]-
TL;DR: Benzoic acid, 5-bromo-2-[[[(2-phenylacetyl)amino]thioxomethyl]amino]- (CAS 532430-59-4) is a chemical compound with molecular formula C16H13BrN2O3S and molecular weight 391.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-2-[(2-phenylacetyl)carbamothioylamino]benzoic acid
Also Known As: 5-bromo-2-[(2-phenylacetyl)carbamothioylamino]benzoic acid, 5-bromo-2-[(2-phenylacetyl)thiocarbamoylamino]benzoic Acid, 5-Bromo-2-{[(phenylacetyl)carbamothioyl]amino}benzoic acid, Benzoic acid, 5-bromo-2-[[[(2-phenylacetyl)amino]thioxomethyl]amino]-, 5-Bromo-2-[[[(phenylacetyl)amino]thioxomethyl ]amino]-benzoic acid
| Molecular Formula | C16H13BrN2O3S |
|---|---|
| Molecular Weight | 391.98 g/mol |
| LogP | 3.203 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.98303 |
| Heavy Atoms | 23 |
| Complexity | 750.2455 |
Chemical Identifiers
| CAS Number | 532430-59-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(=O)NC(=S)NC2=C(C=C(C=C2)Br)C(=O)O |
Product Overview
Benzoic acid, 5-bromo-2-[[[(2-phenylacetyl)amino]thioxomethyl]amino]- (CAS 532430-59-4), with molecular formula C16H13BrN2O3S and molecular weight 391.98 g/mol. IUPAC: 5-bromo-2-[(2-phenylacetyl)carbamothioylamino]benzoic acid.
Chemical Property Profile of Benzoic acid, 5-bromo-2-[[[(2-phenylacetyl)amino]thioxomethyl]amino]-
Property Insights of Benzoic acid, 5-bromo-2-[[[(2-phenylacetyl)amino]thioxomethyl]amino]-
The XLogP value of 3.203 indicates that Benzoic acid, 5-bromo-2-[[[(2-phenylacetyl)amino]thioxomethyl]amino]- 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 Benzoic acid, 5-bromo-2-[[[(2-phenylacetyl)amino]thioxomethyl]amino]-. Following Lipinski's Rule of Five, Benzoic acid, 5-bromo-2-[[[(2-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, 5-bromo-2-[[[(2-phenylacetyl)amino]thioxomethyl]amino]-?
The CAS number of Benzoic acid, 5-bromo-2-[[[(2-phenylacetyl)amino]thioxomethyl]amino]- is 532430-59-4.
What is the molecular formula of Benzoic acid, 5-bromo-2-[[[(2-phenylacetyl)amino]thioxomethyl]amino]-?
The molecular formula of Benzoic acid, 5-bromo-2-[[[(2-phenylacetyl)amino]thioxomethyl]amino]- is C16H13BrN2O3S.
What is the molecular weight of Benzoic acid, 5-bromo-2-[[[(2-phenylacetyl)amino]thioxomethyl]amino]-?
The molecular weight of Benzoic acid, 5-bromo-2-[[[(2-phenylacetyl)amino]thioxomethyl]amino]- is 391.98 g/mol.
Where can I buy Benzoic acid, 5-bromo-2-[[[(2-phenylacetyl)amino]thioxomethyl]amino]-?
You can request a quote for Benzoic acid, 5-bromo-2-[[[(2-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, 5-bromo-2-[[[(2-phenylacetyl)amino]thioxomethyl]amino]-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 5-bromo-2-[[[(2-phenylacetyl)amino]thioxomethyl]amino]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.