![4-[3-(5-Bromo-2-methoxyphenyl)prop-2-enoylcarbamothioylamino]benzoic acid structure](/static/products/5359/535936-56-2.webp)
4-[3-(5-Bromo-2-methoxyphenyl)prop-2-enoylcarbamothioylamino]benzoic acid
TL;DR: 4-[3-(5-Bromo-2-methoxyphenyl)prop-2-enoylcarbamothioylamino]benzoic acid (CAS 535936-56-2) is a chemical compound with molecular formula C18H15BrN2O4S and molecular weight 433.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(5-bromo-2-methoxyphenyl)prop-2-enoylcarbamothioylamino]benzoic acid
Also Known As: 4-[3-(5-bromo-2-methoxyphenyl)prop-2-enoylcarbamothioylamino]benzoic acid, 4-[3-(5-bromo-2-methoxyphenyl)prop-2-enoylcarbamothioylamino, 4-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]benzoic Acid, 4-({[3-(5-Bromo-2-methoxyphenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid, 4-({[(2E)-3-(5-BROMO-2-METHOXYPHENYL)PROP-2-ENAMIDO]METHANETHIOYL}AMINO)BENZOIC ACID
| Molecular Formula | C18H15BrN2O4S |
|---|---|
| Molecular Weight | 433.99 g/mol |
| LogP | 3.6823 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 433.9936 |
| Heavy Atoms | 26 |
| Complexity | 865.9949 |
Chemical Identifiers
| CAS Number | 535936-56-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Br)C=CC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)O |
Product Overview
4-[3-(5-Bromo-2-methoxyphenyl)prop-2-enoylcarbamothioylamino]benzoic acid (CAS 535936-56-2), with molecular formula C18H15BrN2O4S and molecular weight 433.99 g/mol. IUPAC: 4-[3-(5-bromo-2-methoxyphenyl)prop-2-enoylcarbamothioylamino]benzoic acid.
Chemical Property Profile of 4-[3-(5-Bromo-2-methoxyphenyl)prop-2-enoylcarbamothioylamino]benzoic acid
Property Insights of 4-[3-(5-Bromo-2-methoxyphenyl)prop-2-enoylcarbamothioylamino]benzoic acid
The XLogP value of 3.6823 indicates that 4-[3-(5-Bromo-2-methoxyphenyl)prop-2-enoylcarbamothioylamino]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 4-[3-(5-Bromo-2-methoxyphenyl)prop-2-enoylcarbamothioylamino]benzoic acid. Following Lipinski's Rule of Five, 4-[3-(5-Bromo-2-methoxyphenyl)prop-2-enoylcarbamothioylamino]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 4-[3-(5-Bromo-2-methoxyphenyl)prop-2-enoylcarbamothioylamino]benzoic acid?
The CAS number of 4-[3-(5-Bromo-2-methoxyphenyl)prop-2-enoylcarbamothioylamino]benzoic acid is 535936-56-2.
What is the molecular formula of 4-[3-(5-Bromo-2-methoxyphenyl)prop-2-enoylcarbamothioylamino]benzoic acid?
The molecular formula of 4-[3-(5-Bromo-2-methoxyphenyl)prop-2-enoylcarbamothioylamino]benzoic acid is C18H15BrN2O4S.
What is the molecular weight of 4-[3-(5-Bromo-2-methoxyphenyl)prop-2-enoylcarbamothioylamino]benzoic acid?
The molecular weight of 4-[3-(5-Bromo-2-methoxyphenyl)prop-2-enoylcarbamothioylamino]benzoic acid is 433.99 g/mol.
Where can I buy 4-[3-(5-Bromo-2-methoxyphenyl)prop-2-enoylcarbamothioylamino]benzoic acid?
You can request a quote for 4-[3-(5-Bromo-2-methoxyphenyl)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 4-[3-(5-Bromo-2-methoxyphenyl)prop-2-enoylcarbamothioylamino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-(5-Bromo-2-methoxyphenyl)prop-2-enoylcarbamothioylamino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.