![5-chloro-2-[3-(4-propan-2-ylphenyl)prop-2-enoylcarbamothioylamino]benzoic acid structure](/static/products/5359/535948-63-1.webp)
5-chloro-2-[3-(4-propan-2-ylphenyl)prop-2-enoylcarbamothioylamino]benzoic acid
TL;DR: 5-chloro-2-[3-(4-propan-2-ylphenyl)prop-2-enoylcarbamothioylamino]benzoic acid (CAS 535948-63-1) is a chemical compound with molecular formula C20H19ClN2O3S and molecular weight 402.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-[3-(4-propan-2-ylphenyl)prop-2-enoylcarbamothioylamino]benzoic acid
Also Known As: 5-chloro-2-[3-(4-propan-2-ylphenyl)prop-2-enoylcarbamothioylamino]benzoic acid, 5-chloro-2-[3-(4-propan-2-ylphenyl)prop-2-enoylthiocarbamoylamino]benzoic Acid, 5-Chloro-2-[[[[3-[4-(1-methylethyl)phenyl ]-1-oxo-2-propenyl ]amino]thioxomethyl ]amino]-benzoic acid
| Molecular Formula | C20H19ClN2O3S |
|---|---|
| Molecular Weight | 402.08 g/mol |
| LogP | 4.688 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.0805 |
| Heavy Atoms | 27 |
| Complexity | 892.59985 |
Chemical Identifiers
| CAS Number | 535948-63-1 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=C(C=C(C=C2)Cl)C(=O)O |
Product Overview
5-chloro-2-[3-(4-propan-2-ylphenyl)prop-2-enoylcarbamothioylamino]benzoic acid (CAS 535948-63-1), with molecular formula C20H19ClN2O3S and molecular weight 402.08 g/mol. IUPAC: 5-chloro-2-[3-(4-propan-2-ylphenyl)prop-2-enoylcarbamothioylamino]benzoic acid.
Chemical Property Profile of 5-chloro-2-[3-(4-propan-2-ylphenyl)prop-2-enoylcarbamothioylamino]benzoic acid
Property Insights of 5-chloro-2-[3-(4-propan-2-ylphenyl)prop-2-enoylcarbamothioylamino]benzoic acid
The XLogP value of 4.688 indicates that 5-chloro-2-[3-(4-propan-2-ylphenyl)prop-2-enoylcarbamothioylamino]benzoic acid 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 5-chloro-2-[3-(4-propan-2-ylphenyl)prop-2-enoylcarbamothioylamino]benzoic acid. Following Lipinski's Rule of Five, 5-chloro-2-[3-(4-propan-2-ylphenyl)prop-2-enoylcarbamothioylamino]benzoic acid 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 5-chloro-2-[3-(4-propan-2-ylphenyl)prop-2-enoylcarbamothioylamino]benzoic acid?
The CAS number of 5-chloro-2-[3-(4-propan-2-ylphenyl)prop-2-enoylcarbamothioylamino]benzoic acid is 535948-63-1.
What is the molecular formula of 5-chloro-2-[3-(4-propan-2-ylphenyl)prop-2-enoylcarbamothioylamino]benzoic acid?
The molecular formula of 5-chloro-2-[3-(4-propan-2-ylphenyl)prop-2-enoylcarbamothioylamino]benzoic acid is C20H19ClN2O3S.
What is the molecular weight of 5-chloro-2-[3-(4-propan-2-ylphenyl)prop-2-enoylcarbamothioylamino]benzoic acid?
The molecular weight of 5-chloro-2-[3-(4-propan-2-ylphenyl)prop-2-enoylcarbamothioylamino]benzoic acid is 402.08 g/mol.
Where can I buy 5-chloro-2-[3-(4-propan-2-ylphenyl)prop-2-enoylcarbamothioylamino]benzoic acid?
You can request a quote for 5-chloro-2-[3-(4-propan-2-ylphenyl)prop-2-enoylcarbamothioylamino]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-chloro-2-[3-(4-propan-2-ylphenyl)prop-2-enoylcarbamothioylamino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-chloro-2-[3-(4-propan-2-ylphenyl)prop-2-enoylcarbamothioylamino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.