![2-(4-chloro-3-methylphenoxy)-N-[(3,5-dibromo-4-hydroxyphenyl)carbamothioyl]acetamide structure](/static/products/6946/6946-77-6.webp)
2-(4-chloro-3-methylphenoxy)-N-[(3,5-dibromo-4-hydroxyphenyl)carbamothioyl]acetamide
TL;DR: 2-(4-chloro-3-methylphenoxy)-N-[(3,5-dibromo-4-hydroxyphenyl)carbamothioyl]acetamide (CAS 6946-77-6) is a chemical compound with molecular formula C16H13Br2ClN2O3S and molecular weight 505.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloro-3-methylphenoxy)-N-[(3,5-dibromo-4-hydroxyphenyl)carbamothioyl]acetamide
Also Known As: 2-(4-chloro-3-methylphenoxy)-N-[(3,5-dibromo-4-hydroxyphenyl)carbamothioyl]acetamide, 2-(4-chloro-3-methyl-phenoxy)-N-[(3,5-dibromo-4-hydroxy-phenyl)thiocarbamoyl]acetamide
| Molecular Formula | C16H13Br2ClN2O3S |
|---|---|
| Molecular Weight | 505.87 g/mol |
| LogP | 4.77102 |
| Topological Polar Surface Area | 70.59 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 505.8702 |
| Heavy Atoms | 25 |
| Complexity | 810.0174 |
Chemical Identifiers
| CAS Number | 6946-77-6 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OCC(=O)NC(=S)NC2=CC(=C(C(=C2)Br)O)Br)Cl |
Product Overview
2-(4-chloro-3-methylphenoxy)-N-[(3,5-dibromo-4-hydroxyphenyl)carbamothioyl]acetamide (CAS 6946-77-6), with molecular formula C16H13Br2ClN2O3S and molecular weight 505.87 g/mol. IUPAC: 2-(4-chloro-3-methylphenoxy)-N-[(3,5-dibromo-4-hydroxyphenyl)carbamothioyl]acetamide.
Chemical Property Profile of 2-(4-chloro-3-methylphenoxy)-N-[(3,5-dibromo-4-hydroxyphenyl)carbamothioyl]acetamide
Property Insights of 2-(4-chloro-3-methylphenoxy)-N-[(3,5-dibromo-4-hydroxyphenyl)carbamothioyl]acetamide
The XLogP value of 4.77102 indicates that 2-(4-chloro-3-methylphenoxy)-N-[(3,5-dibromo-4-hydroxyphenyl)carbamothioyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-chloro-3-methylphenoxy)-N-[(3,5-dibromo-4-hydroxyphenyl)carbamothioyl]acetamide. Following Lipinski's Rule of Five, 2-(4-chloro-3-methylphenoxy)-N-[(3,5-dibromo-4-hydroxyphenyl)carbamothioyl]acetamide 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 2-(4-chloro-3-methylphenoxy)-N-[(3,5-dibromo-4-hydroxyphenyl)carbamothioyl]acetamide?
The CAS number of 2-(4-chloro-3-methylphenoxy)-N-[(3,5-dibromo-4-hydroxyphenyl)carbamothioyl]acetamide is 6946-77-6.
What is the molecular formula of 2-(4-chloro-3-methylphenoxy)-N-[(3,5-dibromo-4-hydroxyphenyl)carbamothioyl]acetamide?
The molecular formula of 2-(4-chloro-3-methylphenoxy)-N-[(3,5-dibromo-4-hydroxyphenyl)carbamothioyl]acetamide is C16H13Br2ClN2O3S.
What is the molecular weight of 2-(4-chloro-3-methylphenoxy)-N-[(3,5-dibromo-4-hydroxyphenyl)carbamothioyl]acetamide?
The molecular weight of 2-(4-chloro-3-methylphenoxy)-N-[(3,5-dibromo-4-hydroxyphenyl)carbamothioyl]acetamide is 505.87 g/mol.
Where can I buy 2-(4-chloro-3-methylphenoxy)-N-[(3,5-dibromo-4-hydroxyphenyl)carbamothioyl]acetamide?
You can request a quote for 2-(4-chloro-3-methylphenoxy)-N-[(3,5-dibromo-4-hydroxyphenyl)carbamothioyl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-chloro-3-methylphenoxy)-N-[(3,5-dibromo-4-hydroxyphenyl)carbamothioyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-chloro-3-methylphenoxy)-N-[(3,5-dibromo-4-hydroxyphenyl)carbamothioyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.