![2-[3-(4-Chlorophenyl)prop-2-enoylcarbamothioylamino]-3,5-diiodobenzoic acid structure](/static/products/5315/531540-77-9.webp)
2-[3-(4-Chlorophenyl)prop-2-enoylcarbamothioylamino]-3,5-diiodobenzoic acid
TL;DR: 2-[3-(4-Chlorophenyl)prop-2-enoylcarbamothioylamino]-3,5-diiodobenzoic acid (CAS 531540-77-9) is a chemical compound with molecular formula C17H11ClI2N2O3S and molecular weight 611.83 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-chlorophenyl)prop-2-enoylcarbamothioylamino]-3,5-diiodobenzoic acid
Also Known As: 2-[3-(4-chlorophenyl)prop-2-enoylcarbamothioylamino]-3,5-diiodobenzoic acid, 2-[3-(4-chlorophenyl)prop-2-enoylthiocarbamoylamino]-3,5-diiodo-benzoic Acid, 2-[[[[3-(4-CHLOROPHENYL)-1-OXO-2-PROPENYL ]AMINO]THIOXOMETHYL ]AMINO]-3,5-DIIODO-BENZOIC ACID
| Molecular Formula | C17H11ClI2N2O3S |
|---|---|
| Molecular Weight | 611.83 g/mol |
| LogP | 4.7738 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 611.82684 |
| Heavy Atoms | 26 |
| Complexity | 901.62616 |
Chemical Identifiers
| CAS Number | 531540-77-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C=CC(=O)NC(=S)NC2=C(C=C(C=C2I)I)C(=O)O)Cl |
Product Overview
2-[3-(4-Chlorophenyl)prop-2-enoylcarbamothioylamino]-3,5-diiodobenzoic acid (CAS 531540-77-9), with molecular formula C17H11ClI2N2O3S and molecular weight 611.83 g/mol. IUPAC: 2-[3-(4-chlorophenyl)prop-2-enoylcarbamothioylamino]-3,5-diiodobenzoic acid.
Chemical Property Profile of 2-[3-(4-Chlorophenyl)prop-2-enoylcarbamothioylamino]-3,5-diiodobenzoic acid
Property Insights of 2-[3-(4-Chlorophenyl)prop-2-enoylcarbamothioylamino]-3,5-diiodobenzoic acid
The XLogP value of 4.7738 indicates that 2-[3-(4-Chlorophenyl)prop-2-enoylcarbamothioylamino]-3,5-diiodobenzoic 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 2-[3-(4-Chlorophenyl)prop-2-enoylcarbamothioylamino]-3,5-diiodobenzoic acid. Following Lipinski's Rule of Five, 2-[3-(4-Chlorophenyl)prop-2-enoylcarbamothioylamino]-3,5-diiodobenzoic acid has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[3-(4-Chlorophenyl)prop-2-enoylcarbamothioylamino]-3,5-diiodobenzoic acid?
The CAS number of 2-[3-(4-Chlorophenyl)prop-2-enoylcarbamothioylamino]-3,5-diiodobenzoic acid is 531540-77-9.
What is the molecular formula of 2-[3-(4-Chlorophenyl)prop-2-enoylcarbamothioylamino]-3,5-diiodobenzoic acid?
The molecular formula of 2-[3-(4-Chlorophenyl)prop-2-enoylcarbamothioylamino]-3,5-diiodobenzoic acid is C17H11ClI2N2O3S.
What is the molecular weight of 2-[3-(4-Chlorophenyl)prop-2-enoylcarbamothioylamino]-3,5-diiodobenzoic acid?
The molecular weight of 2-[3-(4-Chlorophenyl)prop-2-enoylcarbamothioylamino]-3,5-diiodobenzoic acid is 611.83 g/mol.
Where can I buy 2-[3-(4-Chlorophenyl)prop-2-enoylcarbamothioylamino]-3,5-diiodobenzoic acid?
You can request a quote for 2-[3-(4-Chlorophenyl)prop-2-enoylcarbamothioylamino]-3,5-diiodobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3-(4-Chlorophenyl)prop-2-enoylcarbamothioylamino]-3,5-diiodobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-(4-Chlorophenyl)prop-2-enoylcarbamothioylamino]-3,5-diiodobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.