![2-[[[[(2-Chlorophenoxy)acetyl]amino]thioxomethyl]amino]-5-iodo-benzoic acid structure](/static/products/5301/530137-69-0.webp)
2-[[[[(2-Chlorophenoxy)acetyl]amino]thioxomethyl]amino]-5-iodo-benzoic acid
TL;DR: 2-[[[[(2-Chlorophenoxy)acetyl]amino]thioxomethyl]amino]-5-iodo-benzoic acid (CAS 530137-69-0) is a chemical compound with molecular formula C16H12ClIN2O4S and molecular weight 489.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(2-chlorophenoxy)acetyl]carbamothioylamino]-5-iodobenzoic acid
Also Known As: 2-[[[[ ACETYL]AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOICACID, 2-[[2-(2-chlorophenoxy)acetyl]carbamothioylamino]-5-iodobenzoic acid, 2-[[2-(2-chlorophenoxy)acetyl]thiocarbamoylamino]-5-iodo-benzoic Acid, 2-[[[[(2-Chlorophenoxy)acetyl ]amino]thioxomethyl ]amino]-5-iodo-benzoic acid
| Molecular Formula | C16H12ClIN2O4S |
|---|---|
| Molecular Weight | 489.93 g/mol |
| LogP | 3.5348 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 489.9251 |
| Heavy Atoms | 25 |
| Complexity | 831.53204 |
Chemical Identifiers
| CAS Number | 530137-69-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)OCC(=O)NC(=S)NC2=C(C=C(C=C2)I)C(=O)O)Cl |
Product Overview
2-[[[[(2-Chlorophenoxy)acetyl]amino]thioxomethyl]amino]-5-iodo-benzoic acid (CAS 530137-69-0), with molecular formula C16H12ClIN2O4S and molecular weight 489.93 g/mol. IUPAC: 2-[[2-(2-chlorophenoxy)acetyl]carbamothioylamino]-5-iodobenzoic acid.
Chemical Property Profile of 2-[[[[(2-Chlorophenoxy)acetyl]amino]thioxomethyl]amino]-5-iodo-benzoic acid
Property Insights of 2-[[[[(2-Chlorophenoxy)acetyl]amino]thioxomethyl]amino]-5-iodo-benzoic acid
The XLogP value of 3.5348 indicates that 2-[[[[(2-Chlorophenoxy)acetyl]amino]thioxomethyl]amino]-5-iodo-benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[[[(2-Chlorophenoxy)acetyl]amino]thioxomethyl]amino]-5-iodo-benzoic acid. Following Lipinski's Rule of Five, 2-[[[[(2-Chlorophenoxy)acetyl]amino]thioxomethyl]amino]-5-iodo-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 2-[[[[(2-Chlorophenoxy)acetyl]amino]thioxomethyl]amino]-5-iodo-benzoic acid?
The CAS number of 2-[[[[(2-Chlorophenoxy)acetyl]amino]thioxomethyl]amino]-5-iodo-benzoic acid is 530137-69-0.
What is the molecular formula of 2-[[[[(2-Chlorophenoxy)acetyl]amino]thioxomethyl]amino]-5-iodo-benzoic acid?
The molecular formula of 2-[[[[(2-Chlorophenoxy)acetyl]amino]thioxomethyl]amino]-5-iodo-benzoic acid is C16H12ClIN2O4S.
What is the molecular weight of 2-[[[[(2-Chlorophenoxy)acetyl]amino]thioxomethyl]amino]-5-iodo-benzoic acid?
The molecular weight of 2-[[[[(2-Chlorophenoxy)acetyl]amino]thioxomethyl]amino]-5-iodo-benzoic acid is 489.93 g/mol.
Where can I buy 2-[[[[(2-Chlorophenoxy)acetyl]amino]thioxomethyl]amino]-5-iodo-benzoic acid?
You can request a quote for 2-[[[[(2-Chlorophenoxy)acetyl]amino]thioxomethyl]amino]-5-iodo-benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[[[(2-Chlorophenoxy)acetyl]amino]thioxomethyl]amino]-5-iodo-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[[[[(2-Chlorophenoxy)acetyl]amino]thioxomethyl]amino]-5-iodo-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.