![5-Iodo-2-[(2-phenoxyacetyl)carbamothioylamino]benzoic acid structure](/static/products/5315/531540-54-2.webp)
5-Iodo-2-[(2-phenoxyacetyl)carbamothioylamino]benzoic acid
TL;DR: 5-Iodo-2-[(2-phenoxyacetyl)carbamothioylamino]benzoic acid (CAS 531540-54-2) is a chemical compound with molecular formula C16H13IN2O4S and molecular weight 455.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-iodo-2-[(2-phenoxyacetyl)carbamothioylamino]benzoic acid
Also Known As: 5-iodo-2-[(2-phenoxyacetyl)carbamothioylamino]benzoic acid, 5-iodo-2-[(2-phenoxyacetyl)thiocarbamoylamino]benzoic Acid, 5-Iodo-2-{[(phenoxyacetyl)carbamothioyl]amino}benzoic acid, 5-IODO-2-[[[(PHENOXYACETYL)AMINO]THIOXOMETHYL ]AMINO]-BENZOIC ACID
| Molecular Formula | C16H13IN2O4S |
|---|---|
| Molecular Weight | 455.96 g/mol |
| LogP | 2.8814 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.96408 |
| Heavy Atoms | 24 |
| Complexity | 767.9277 |
Chemical Identifiers
| CAS Number | 531540-54-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCC(=O)NC(=S)NC2=C(C=C(C=C2)I)C(=O)O |
Product Overview
5-Iodo-2-[(2-phenoxyacetyl)carbamothioylamino]benzoic acid (CAS 531540-54-2), with molecular formula C16H13IN2O4S and molecular weight 455.96 g/mol. IUPAC: 5-iodo-2-[(2-phenoxyacetyl)carbamothioylamino]benzoic acid.
Chemical Property Profile of 5-Iodo-2-[(2-phenoxyacetyl)carbamothioylamino]benzoic acid
Property Insights of 5-Iodo-2-[(2-phenoxyacetyl)carbamothioylamino]benzoic acid
The XLogP value of 2.8814 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Iodo-2-[(2-phenoxyacetyl)carbamothioylamino]benzoic acid. The TPSA of 87.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Iodo-2-[(2-phenoxyacetyl)carbamothioylamino]benzoic acid. Following Lipinski's Rule of Five, 5-Iodo-2-[(2-phenoxyacetyl)carbamothioylamino]benzoic acid has 3 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 5-Iodo-2-[(2-phenoxyacetyl)carbamothioylamino]benzoic acid?
The CAS number of 5-Iodo-2-[(2-phenoxyacetyl)carbamothioylamino]benzoic acid is 531540-54-2.
What is the molecular formula of 5-Iodo-2-[(2-phenoxyacetyl)carbamothioylamino]benzoic acid?
The molecular formula of 5-Iodo-2-[(2-phenoxyacetyl)carbamothioylamino]benzoic acid is C16H13IN2O4S.
What is the molecular weight of 5-Iodo-2-[(2-phenoxyacetyl)carbamothioylamino]benzoic acid?
The molecular weight of 5-Iodo-2-[(2-phenoxyacetyl)carbamothioylamino]benzoic acid is 455.96 g/mol.
Where can I buy 5-Iodo-2-[(2-phenoxyacetyl)carbamothioylamino]benzoic acid?
You can request a quote for 5-Iodo-2-[(2-phenoxyacetyl)carbamothioylamino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Iodo-2-[(2-phenoxyacetyl)carbamothioylamino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Iodo-2-[(2-phenoxyacetyl)carbamothioylamino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.