![5-[(3-Butoxybenzoyl)carbamothioylamino]-2-chlorobenzoic acid structure](/static/products/4342/434286-98-3.webp)
5-[(3-Butoxybenzoyl)carbamothioylamino]-2-chlorobenzoic acid
TL;DR: 5-[(3-Butoxybenzoyl)carbamothioylamino]-2-chlorobenzoic acid (CAS 434286-98-3) is a chemical compound with molecular formula C19H19ClN2O4S and molecular weight 406.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3-butoxybenzoyl)carbamothioylamino]-2-chlorobenzoic acid
Also Known As: 5-[(3-butoxybenzoyl)carbamothioylamino]-2-chlorobenzoic acid, 5-({[(3-butoxybenzoyl)amino]carbonothioyl}amino)-2-chlorobenzoic acid, 5-[(3-butoxybenzoyl)thiocarbamoylamino]-2-chloro-benzoic Acid, 5-(3-(3-butoxybenzoyl)thioureido)-2-chlorobenzoic acid, 5-{[(3-Butoxybenzoyl)carbamothioyl]amino}-2-chlorobenzoic acid
| Molecular Formula | C19H19ClN2O4S |
|---|---|
| Molecular Weight | 406.08 g/mol |
| LogP | 4.3439 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 406.0754 |
| Heavy Atoms | 27 |
| Complexity | 857.35333 |
Chemical Identifiers
| CAS Number | 434286-98-3 |
|---|---|
| SMILES | CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)O |
Product Overview
5-[(3-Butoxybenzoyl)carbamothioylamino]-2-chlorobenzoic acid (CAS 434286-98-3), with molecular formula C19H19ClN2O4S and molecular weight 406.08 g/mol. IUPAC: 5-[(3-butoxybenzoyl)carbamothioylamino]-2-chlorobenzoic acid.
Chemical Property Profile of 5-[(3-Butoxybenzoyl)carbamothioylamino]-2-chlorobenzoic acid
Property Insights of 5-[(3-Butoxybenzoyl)carbamothioylamino]-2-chlorobenzoic acid
The XLogP value of 4.3439 indicates that 5-[(3-Butoxybenzoyl)carbamothioylamino]-2-chlorobenzoic 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 5-[(3-Butoxybenzoyl)carbamothioylamino]-2-chlorobenzoic acid. Following Lipinski's Rule of Five, 5-[(3-Butoxybenzoyl)carbamothioylamino]-2-chlorobenzoic 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-[(3-Butoxybenzoyl)carbamothioylamino]-2-chlorobenzoic acid?
The CAS number of 5-[(3-Butoxybenzoyl)carbamothioylamino]-2-chlorobenzoic acid is 434286-98-3.
What is the molecular formula of 5-[(3-Butoxybenzoyl)carbamothioylamino]-2-chlorobenzoic acid?
The molecular formula of 5-[(3-Butoxybenzoyl)carbamothioylamino]-2-chlorobenzoic acid is C19H19ClN2O4S.
What is the molecular weight of 5-[(3-Butoxybenzoyl)carbamothioylamino]-2-chlorobenzoic acid?
The molecular weight of 5-[(3-Butoxybenzoyl)carbamothioylamino]-2-chlorobenzoic acid is 406.08 g/mol.
Where can I buy 5-[(3-Butoxybenzoyl)carbamothioylamino]-2-chlorobenzoic acid?
You can request a quote for 5-[(3-Butoxybenzoyl)carbamothioylamino]-2-chlorobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(3-Butoxybenzoyl)carbamothioylamino]-2-chlorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-[(3-Butoxybenzoyl)carbamothioylamino]-2-chlorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.