![N-(4-chlorophenyl)-2-{[4-(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide structure](/static/products/899/899412-78-3.png)
N-(4-chlorophenyl)-2-{[4-(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
TL;DR: N-(4-chlorophenyl)-2-{[4-(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 899412-78-3) is a chemical compound with molecular formula C22H19ClN4O2S2 and molecular weight 470.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-2-[[4-(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(4-chlorophenyl)-2-{[4-(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(4-chlorophenyl)-2-((4-(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(4-chlorophenyl)-2-[[4-(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(4-chlorophenyl)-2-[4-(4-methoxyphenyl)-5-(2-thienylmethyl)(1,2,4-triazol-3- ylthio)]acetamide
| Molecular Formula | C22H19ClN4O2S2 |
|---|---|
| Molecular Weight | 470.06 g/mol |
| LogP | 5.3124 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 470.06378 |
| Heavy Atoms | 31 |
| Complexity | 1143.4899 |
Chemical Identifiers
| CAS Number | 899412-78-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)Cl)CC4=CC=CS4 |
Product Overview
N-(4-chlorophenyl)-2-{[4-(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 899412-78-3), with molecular formula C22H19ClN4O2S2 and molecular weight 470.06 g/mol. IUPAC: N-(4-chlorophenyl)-2-[[4-(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(4-chlorophenyl)-2-{[4-(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Property Insights of N-(4-chlorophenyl)-2-{[4-(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
The XLogP value of 5.3124 indicates that N-(4-chlorophenyl)-2-{[4-(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-chlorophenyl)-2-{[4-(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide. Following Lipinski's Rule of Five, N-(4-chlorophenyl)-2-{[4-(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}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-chlorophenyl)-2-{[4-(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The CAS number of N-(4-chlorophenyl)-2-{[4-(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 899412-78-3.
What is the molecular formula of N-(4-chlorophenyl)-2-{[4-(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular formula of N-(4-chlorophenyl)-2-{[4-(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is C22H19ClN4O2S2.
What is the molecular weight of N-(4-chlorophenyl)-2-{[4-(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular weight of N-(4-chlorophenyl)-2-{[4-(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 470.06 g/mol.
Where can I buy N-(4-chlorophenyl)-2-{[4-(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
You can request a quote for N-(4-chlorophenyl)-2-{[4-(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}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-chlorophenyl)-2-{[4-(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chlorophenyl)-2-{[4-(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.