![3-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-4-methyl-benzoic Acid structure](/static/products/5359/535964-53-5.webp)
3-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-4-methyl-benzoic Acid
TL;DR: 3-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-4-methyl-benzoic Acid (CAS 535964-53-5) is a chemical compound with molecular formula C19H17BrN2O4S and molecular weight 448.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(5-bromo-2-methoxyphenyl)prop-2-enoylcarbamothioylamino]-4-methylbenzoic acid
Also Known As: 3-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-4-methyl-benzoic Acid, 3-[3-(5-bromo-2-methoxyphenyl)prop-2-enoylcarbamothioylamino]-4-methylbenzoic acid, 3-[[[[3-(5-BROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL ]AMINO]THIOXOMETHYL ]AMINO]-4-METHYL-BENZOIC ACID
| Molecular Formula | C19H17BrN2O4S |
|---|---|
| Molecular Weight | 448.01 g/mol |
| LogP | 3.99072 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 448.00925 |
| Heavy Atoms | 27 |
| Complexity | 927.92084 |
Chemical Identifiers
| CAS Number | 535964-53-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C=CC2=C(C=CC(=C2)Br)OC |
Product Overview
3-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-4-methyl-benzoic Acid (CAS 535964-53-5), with molecular formula C19H17BrN2O4S and molecular weight 448.01 g/mol. IUPAC: 3-[3-(5-bromo-2-methoxyphenyl)prop-2-enoylcarbamothioylamino]-4-methylbenzoic acid.
Chemical Property Profile of 3-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-4-methyl-benzoic Acid
Property Insights of 3-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-4-methyl-benzoic Acid
The XLogP value of 3.99072 indicates that 3-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-4-methyl-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 3-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-4-methyl-benzoic Acid. Following Lipinski's Rule of Five, 3-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-4-methyl-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 3-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-4-methyl-benzoic Acid?
The CAS number of 3-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-4-methyl-benzoic Acid is 535964-53-5.
What is the molecular formula of 3-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-4-methyl-benzoic Acid?
The molecular formula of 3-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-4-methyl-benzoic Acid is C19H17BrN2O4S.
What is the molecular weight of 3-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-4-methyl-benzoic Acid?
The molecular weight of 3-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-4-methyl-benzoic Acid is 448.01 g/mol.
Where can I buy 3-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-4-methyl-benzoic Acid?
You can request a quote for 3-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-4-methyl-benzoic 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-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-4-methyl-benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-4-methyl-benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.