![2-Chloro-5-({[(3-isopropoxybenzoyl)amino]carbonothioyl}amino)benzoic acid structure](/static/products/4343/434309-87-2.webp)
2-Chloro-5-({[(3-isopropoxybenzoyl)amino]carbonothioyl}amino)benzoic acid
TL;DR: 2-Chloro-5-({[(3-isopropoxybenzoyl)amino]carbonothioyl}amino)benzoic acid (CAS 434309-87-2) is a chemical compound with molecular formula C18H17ClN2O4S and molecular weight 392.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5-[(3-propan-2-yloxybenzoyl)carbamothioylamino]benzoic acid
Also Known As: 2-chloro-5-({[(3-isopropoxybenzoyl)amino]carbonothioyl}amino)benzoic acid, 2-chloro-5-[(3-propan-2-yloxybenzoyl)carbamothioylamino]benzoic acid, 2-chloro-5-[3-(3-isopropoxy-benzoyl)-thioureido]-benzoic acid, 2-CHLORO-5-[[[[3-(1-METHYLETHOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID, 2-CHLORO-5-[[[[3- BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID
| Molecular Formula | C18H17ClN2O4S |
|---|---|
| Molecular Weight | 392.06 g/mol |
| LogP | 3.9522 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.05975 |
| Heavy Atoms | 26 |
| Complexity | 854.8348 |
Chemical Identifiers
| CAS Number | 434309-87-2 |
|---|---|
| SMILES | CC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)O |
Product Overview
2-Chloro-5-({[(3-isopropoxybenzoyl)amino]carbonothioyl}amino)benzoic acid (CAS 434309-87-2), with molecular formula C18H17ClN2O4S and molecular weight 392.06 g/mol. IUPAC: 2-chloro-5-[(3-propan-2-yloxybenzoyl)carbamothioylamino]benzoic acid.
Chemical Property Profile of 2-Chloro-5-({[(3-isopropoxybenzoyl)amino]carbonothioyl}amino)benzoic acid
Property Insights of 2-Chloro-5-({[(3-isopropoxybenzoyl)amino]carbonothioyl}amino)benzoic acid
The XLogP value of 3.9522 indicates that 2-Chloro-5-({[(3-isopropoxybenzoyl)amino]carbonothioyl}amino)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-Chloro-5-({[(3-isopropoxybenzoyl)amino]carbonothioyl}amino)benzoic acid. Following Lipinski's Rule of Five, 2-Chloro-5-({[(3-isopropoxybenzoyl)amino]carbonothioyl}amino)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-Chloro-5-({[(3-isopropoxybenzoyl)amino]carbonothioyl}amino)benzoic acid?
The CAS number of 2-Chloro-5-({[(3-isopropoxybenzoyl)amino]carbonothioyl}amino)benzoic acid is 434309-87-2.
What is the molecular formula of 2-Chloro-5-({[(3-isopropoxybenzoyl)amino]carbonothioyl}amino)benzoic acid?
The molecular formula of 2-Chloro-5-({[(3-isopropoxybenzoyl)amino]carbonothioyl}amino)benzoic acid is C18H17ClN2O4S.
What is the molecular weight of 2-Chloro-5-({[(3-isopropoxybenzoyl)amino]carbonothioyl}amino)benzoic acid?
The molecular weight of 2-Chloro-5-({[(3-isopropoxybenzoyl)amino]carbonothioyl}amino)benzoic acid is 392.06 g/mol.
Where can I buy 2-Chloro-5-({[(3-isopropoxybenzoyl)amino]carbonothioyl}amino)benzoic acid?
You can request a quote for 2-Chloro-5-({[(3-isopropoxybenzoyl)amino]carbonothioyl}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 2-Chloro-5-({[(3-isopropoxybenzoyl)amino]carbonothioyl}amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-5-({[(3-isopropoxybenzoyl)amino]carbonothioyl}amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.