![5-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-2-chloro-benzoic Acid structure](/static/products/5301/530152-49-9.webp)
5-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-2-chloro-benzoic Acid
TL;DR: 5-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-2-chloro-benzoic Acid (CAS 530152-49-9) is a chemical compound with molecular formula C18H14BrClN2O4S and molecular weight 467.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-(5-bromo-2-methoxyphenyl)prop-2-enoylcarbamothioylamino]-2-chlorobenzoic acid
Also Known As: 5-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-2-chloro-benzoic Acid, 5-[3-(5-bromo-2-methoxyphenyl)prop-2-enoylcarbamothioylamino]-2-chlorobenzoic acid, 5-[[[[3-(5-BROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL ]AMINO]THIOXOMETHYL ]AMINO]-2-CHLORO-BENZOIC ACID
| Molecular Formula | C18H14BrClN2O4S |
|---|---|
| Molecular Weight | 467.95 g/mol |
| LogP | 4.3357 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 467.95462 |
| Heavy Atoms | 27 |
| Complexity | 933.5728 |
Chemical Identifiers
| CAS Number | 530152-49-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Br)C=CC(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)O |
Product Overview
5-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-2-chloro-benzoic Acid (CAS 530152-49-9), with molecular formula C18H14BrClN2O4S and molecular weight 467.95 g/mol. IUPAC: 5-[3-(5-bromo-2-methoxyphenyl)prop-2-enoylcarbamothioylamino]-2-chlorobenzoic acid.
Chemical Property Profile of 5-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-2-chloro-benzoic Acid
Property Insights of 5-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-2-chloro-benzoic Acid
The XLogP value of 4.3357 indicates that 5-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-2-chloro-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 5-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-2-chloro-benzoic Acid. Following Lipinski's Rule of Five, 5-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-2-chloro-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 5-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-2-chloro-benzoic Acid?
The CAS number of 5-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-2-chloro-benzoic Acid is 530152-49-9.
What is the molecular formula of 5-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-2-chloro-benzoic Acid?
The molecular formula of 5-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-2-chloro-benzoic Acid is C18H14BrClN2O4S.
What is the molecular weight of 5-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-2-chloro-benzoic Acid?
The molecular weight of 5-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-2-chloro-benzoic Acid is 467.95 g/mol.
Where can I buy 5-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-2-chloro-benzoic Acid?
You can request a quote for 5-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-2-chloro-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-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-2-chloro-benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 5-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-2-chloro-benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.