N-(4-bromo-2-methylphenyl)-2-((5-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
TL;DR: N-(4-bromo-2-methylphenyl)-2-((5-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 899392-22-4) is a chemical compound with molecular formula C23H20BrClN4O3S and molecular weight 546.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromo-2-methylphenyl)-2-[[5-[(4-chlorophenoxy)methyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(4-bromo-2-methylphenyl)-2-((5-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(4-bromo-2-methylphenyl)-2-({5-[(4-chlorophenoxy)methyl]-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide, N-(4-bromo-2-methylphenyl)-2-[[5-[(4-chlorophenoxy)methyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(4-bromo-2-methylphenyl)-2-{[5-(4-chlorophenoxymethyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(4-bromo-2-methylphenyl)-2-{5-[(4-chlorophenoxy)methyl]-4-(2-furylmethyl)(1, 2,4-triazol-3-ylthio)}acetamide
| Molecular Formula | C23H20BrClN4O3S |
|---|---|
| Molecular Weight | 546.01 g/mol |
| LogP | 5.95352 |
| Topological Polar Surface Area | 82.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 546.0128 |
| Heavy Atoms | 33 |
| Complexity | 1229.2498 |
Chemical Identifiers
| CAS Number | 899392-22-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)COC4=CC=C(C=C4)Cl |
Product Overview
N-(4-bromo-2-methylphenyl)-2-((5-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 899392-22-4), with molecular formula C23H20BrClN4O3S and molecular weight 546.01 g/mol. IUPAC: N-(4-bromo-2-methylphenyl)-2-[[5-[(4-chlorophenoxy)methyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(4-bromo-2-methylphenyl)-2-((5-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
Property Insights of N-(4-bromo-2-methylphenyl)-2-((5-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
The XLogP value of 5.95352 indicates that N-(4-bromo-2-methylphenyl)-2-((5-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.18 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-bromo-2-methylphenyl)-2-((5-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide. Following Lipinski's Rule of Five, N-(4-bromo-2-methylphenyl)-2-((5-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(4-bromo-2-methylphenyl)-2-((5-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
The CAS number of N-(4-bromo-2-methylphenyl)-2-((5-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide is 899392-22-4.
What is the molecular formula of N-(4-bromo-2-methylphenyl)-2-((5-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
The molecular formula of N-(4-bromo-2-methylphenyl)-2-((5-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide is C23H20BrClN4O3S.
What is the molecular weight of N-(4-bromo-2-methylphenyl)-2-((5-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
The molecular weight of N-(4-bromo-2-methylphenyl)-2-((5-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide is 546.01 g/mol.
Where can I buy N-(4-bromo-2-methylphenyl)-2-((5-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
You can request a quote for N-(4-bromo-2-methylphenyl)-2-((5-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-bromo-2-methylphenyl)-2-((5-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-bromo-2-methylphenyl)-2-((5-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.