![3-[3-(3,5-dibromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-2-methyl-benzoic Acid structure](/static/products/530/530146-60-2.png)
3-[3-(3,5-dibromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-2-methyl-benzoic Acid
TL;DR: 3-[3-(3,5-dibromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-2-methyl-benzoic Acid (CAS 530146-60-2) is a chemical compound with molecular formula C19H16Br2N2O4S and molecular weight 525.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(E)-3-(3,5-dibromo-2-methoxyphenyl)prop-2-enoyl]carbamothioylamino]-2-methylbenzoic acid
Also Known As: 3-[3-(3,5-dibromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-2-methyl-benzoic Acid, BENZOICACID,3-[[[[3- -1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-2-METHYL-, 3-[[(E)-3-(3,5-dibromo-2-methoxyphenyl)prop-2-enoyl]carbamothioylamino]-2-methylbenzoic acid
| Molecular Formula | C19H16Br2N2O4S |
|---|---|
| Molecular Weight | 525.92 g/mol |
| LogP | 4.75322 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 525.91974 |
| Heavy Atoms | 28 |
| Complexity | 976.64624 |
Chemical Identifiers
| CAS Number | 530146-60-2 |
|---|---|
| SMILES | CC1=C(C=CC=C1NC(=S)NC(=O)/C=C/C2=C(C(=CC(=C2)Br)Br)OC)C(=O)O |
Product Overview
3-[3-(3,5-dibromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-2-methyl-benzoic Acid (CAS 530146-60-2), with molecular formula C19H16Br2N2O4S and molecular weight 525.92 g/mol. IUPAC: 3-[[(E)-3-(3,5-dibromo-2-methoxyphenyl)prop-2-enoyl]carbamothioylamino]-2-methylbenzoic acid.
Chemical Property Profile of 3-[3-(3,5-dibromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-2-methyl-benzoic Acid
Property Insights of 3-[3-(3,5-dibromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-2-methyl-benzoic Acid
The XLogP value of 4.75322 indicates that 3-[3-(3,5-dibromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-2-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-(3,5-dibromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-2-methyl-benzoic Acid. Following Lipinski's Rule of Five, 3-[3-(3,5-dibromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-2-methyl-benzoic Acid has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[3-(3,5-dibromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-2-methyl-benzoic Acid?
The CAS number of 3-[3-(3,5-dibromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-2-methyl-benzoic Acid is 530146-60-2.
What is the molecular formula of 3-[3-(3,5-dibromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-2-methyl-benzoic Acid?
The molecular formula of 3-[3-(3,5-dibromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-2-methyl-benzoic Acid is C19H16Br2N2O4S.
What is the molecular weight of 3-[3-(3,5-dibromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-2-methyl-benzoic Acid?
The molecular weight of 3-[3-(3,5-dibromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-2-methyl-benzoic Acid is 525.92 g/mol.
Where can I buy 3-[3-(3,5-dibromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-2-methyl-benzoic Acid?
You can request a quote for 3-[3-(3,5-dibromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-2-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-(3,5-dibromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-2-methyl-benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-(3,5-dibromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]-2-methyl-benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.