![3-[3-(2,4-dichlorophenyl)prop-2-enoylcarbamothioylamino]-2-methylbenzoic acid structure](/static/products/5301/530147-84-3.webp)
3-[3-(2,4-dichlorophenyl)prop-2-enoylcarbamothioylamino]-2-methylbenzoic acid
TL;DR: 3-[3-(2,4-dichlorophenyl)prop-2-enoylcarbamothioylamino]-2-methylbenzoic acid (CAS 530147-84-3) is a chemical compound with molecular formula C18H14Cl2N2O3S and molecular weight 408.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(2,4-dichlorophenyl)prop-2-enoylcarbamothioylamino]-2-methylbenzoic acid
Also Known As: 3-[3-(2,4-dichlorophenyl)prop-2-enoylcarbamothioylamino]-2-methylbenzoic acid, 3-[3-(2,4-dichlorophenyl)prop-2-enoylthiocarbamoylamino]-2-methyl-benzoic Acid, 3-[[[[3-(2,4-Dichlorophenyl)-1-oxo-2-propenyl ]amino]thioxomethyl ]amino]-2-methyl-benzoic acid
| Molecular Formula | C18H14Cl2N2O3S |
|---|---|
| Molecular Weight | 408.01 g/mol |
| LogP | 4.52642 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.01022 |
| Heavy Atoms | 26 |
| Complexity | 913.3044 |
Chemical Identifiers
| CAS Number | 530147-84-3 |
|---|---|
| SMILES | CC1=C(C=CC=C1NC(=S)NC(=O)C=CC2=C(C=C(C=C2)Cl)Cl)C(=O)O |
Product Overview
3-[3-(2,4-dichlorophenyl)prop-2-enoylcarbamothioylamino]-2-methylbenzoic acid (CAS 530147-84-3), with molecular formula C18H14Cl2N2O3S and molecular weight 408.01 g/mol. IUPAC: 3-[3-(2,4-dichlorophenyl)prop-2-enoylcarbamothioylamino]-2-methylbenzoic acid.
Chemical Property Profile of 3-[3-(2,4-dichlorophenyl)prop-2-enoylcarbamothioylamino]-2-methylbenzoic acid
Property Insights of 3-[3-(2,4-dichlorophenyl)prop-2-enoylcarbamothioylamino]-2-methylbenzoic acid
The XLogP value of 4.52642 indicates that 3-[3-(2,4-dichlorophenyl)prop-2-enoylcarbamothioylamino]-2-methylbenzoic 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 3-[3-(2,4-dichlorophenyl)prop-2-enoylcarbamothioylamino]-2-methylbenzoic acid. Following Lipinski's Rule of Five, 3-[3-(2,4-dichlorophenyl)prop-2-enoylcarbamothioylamino]-2-methylbenzoic 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 3-[3-(2,4-dichlorophenyl)prop-2-enoylcarbamothioylamino]-2-methylbenzoic acid?
The CAS number of 3-[3-(2,4-dichlorophenyl)prop-2-enoylcarbamothioylamino]-2-methylbenzoic acid is 530147-84-3.
What is the molecular formula of 3-[3-(2,4-dichlorophenyl)prop-2-enoylcarbamothioylamino]-2-methylbenzoic acid?
The molecular formula of 3-[3-(2,4-dichlorophenyl)prop-2-enoylcarbamothioylamino]-2-methylbenzoic acid is C18H14Cl2N2O3S.
What is the molecular weight of 3-[3-(2,4-dichlorophenyl)prop-2-enoylcarbamothioylamino]-2-methylbenzoic acid?
The molecular weight of 3-[3-(2,4-dichlorophenyl)prop-2-enoylcarbamothioylamino]-2-methylbenzoic acid is 408.01 g/mol.
Where can I buy 3-[3-(2,4-dichlorophenyl)prop-2-enoylcarbamothioylamino]-2-methylbenzoic acid?
You can request a quote for 3-[3-(2,4-dichlorophenyl)prop-2-enoylcarbamothioylamino]-2-methylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[3-(2,4-dichlorophenyl)prop-2-enoylcarbamothioylamino]-2-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-(2,4-dichlorophenyl)prop-2-enoylcarbamothioylamino]-2-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.