![3-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]carbamothioylamino]-4-methylbenzoic acid structure](/static/products/4614/461414-06-2.webp)
3-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]carbamothioylamino]-4-methylbenzoic acid
TL;DR: 3-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]carbamothioylamino]-4-methylbenzoic acid (CAS 461414-06-2) is a chemical compound with molecular formula C18H16Br2N2O4S and molecular weight 513.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]carbamothioylamino]-4-methylbenzoic acid
Also Known As: 3-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]carbamothioylamino]-4-methylbenzoic acid, 3-({[(2,4-Dibromo-6-methylphenoxy)acetyl]carbamothioyl}amino)-4-methylbenzoic acid, 3-[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]thiocarbamoylamino]-4-methyl-benzoic Acid
| Molecular Formula | C18H16Br2N2O4S |
|---|---|
| Molecular Weight | 513.92 g/mol |
| LogP | 4.41864 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 513.91974 |
| Heavy Atoms | 27 |
| Complexity | 895.2249 |
Chemical Identifiers
| CAS Number | 461414-06-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)COC2=C(C=C(C=C2C)Br)Br |
Product Overview
3-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]carbamothioylamino]-4-methylbenzoic acid (CAS 461414-06-2), with molecular formula C18H16Br2N2O4S and molecular weight 513.92 g/mol. IUPAC: 3-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]carbamothioylamino]-4-methylbenzoic acid.
Chemical Property Profile of 3-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]carbamothioylamino]-4-methylbenzoic acid
Property Insights of 3-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]carbamothioylamino]-4-methylbenzoic acid
The XLogP value of 4.41864 indicates that 3-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]carbamothioylamino]-4-methylbenzoic 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-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]carbamothioylamino]-4-methylbenzoic acid. Following Lipinski's Rule of Five, 3-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]carbamothioylamino]-4-methylbenzoic 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-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]carbamothioylamino]-4-methylbenzoic acid?
The CAS number of 3-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]carbamothioylamino]-4-methylbenzoic acid is 461414-06-2.
What is the molecular formula of 3-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]carbamothioylamino]-4-methylbenzoic acid?
The molecular formula of 3-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]carbamothioylamino]-4-methylbenzoic acid is C18H16Br2N2O4S.
What is the molecular weight of 3-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]carbamothioylamino]-4-methylbenzoic acid?
The molecular weight of 3-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]carbamothioylamino]-4-methylbenzoic acid is 513.92 g/mol.
Where can I buy 3-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]carbamothioylamino]-4-methylbenzoic acid?
You can request a quote for 3-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]carbamothioylamino]-4-methylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]carbamothioylamino]-4-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]carbamothioylamino]-4-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.