![2-[[5-(benzylsulfanylmethyl)-4-(5-chloro-2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide structure](/static/products/5903/590359-94-7.webp)
2-[[5-(benzylsulfanylmethyl)-4-(5-chloro-2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
TL;DR: 2-[[5-(benzylsulfanylmethyl)-4-(5-chloro-2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (CAS 590359-94-7) is a chemical compound with molecular formula C19H19ClN4O2S2 and molecular weight 434.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(benzylsulfanylmethyl)-4-(5-chloro-2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: 2-[[5-(benzylsulfanylmethyl)-4-(5-chloro-2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, 2-({5-[(benzylsulfanyl)methyl]-4-(5-chloro-2-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide, 2-[[5-(benzylsulfanylmethyl)-4-(5-chloro-2-methoxy-phenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, 2-{[5-[(BENZYLSULFANYL)METHYL]-4-(5-CHLORO-2-METHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETAMIDE, 2-{4-(5-chloro-2-methoxyphenyl)-5-[(phenylmethylthio)methyl]-1,2,4-triazol-3-y lthio}acetamide
| Molecular Formula | C19H19ClN4O2S2 |
|---|---|
| Molecular Weight | 434.06 g/mol |
| LogP | 3.9401 |
| Topological Polar Surface Area | 83.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 434.06378 |
| Heavy Atoms | 28 |
| Complexity | 950.36163 |
Chemical Identifiers
| CAS Number | 590359-94-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Cl)N2C(=NN=C2SCC(=O)N)CSCC3=CC=CC=C3 |
Product Overview
2-[[5-(benzylsulfanylmethyl)-4-(5-chloro-2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (CAS 590359-94-7), with molecular formula C19H19ClN4O2S2 and molecular weight 434.06 g/mol. IUPAC: 2-[[5-(benzylsulfanylmethyl)-4-(5-chloro-2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of 2-[[5-(benzylsulfanylmethyl)-4-(5-chloro-2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Property Insights of 2-[[5-(benzylsulfanylmethyl)-4-(5-chloro-2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
The XLogP value of 3.9401 indicates that 2-[[5-(benzylsulfanylmethyl)-4-(5-chloro-2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[5-(benzylsulfanylmethyl)-4-(5-chloro-2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide. Following Lipinski's Rule of Five, 2-[[5-(benzylsulfanylmethyl)-4-(5-chloro-2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[[5-(benzylsulfanylmethyl)-4-(5-chloro-2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The CAS number of 2-[[5-(benzylsulfanylmethyl)-4-(5-chloro-2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is 590359-94-7.
What is the molecular formula of 2-[[5-(benzylsulfanylmethyl)-4-(5-chloro-2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The molecular formula of 2-[[5-(benzylsulfanylmethyl)-4-(5-chloro-2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is C19H19ClN4O2S2.
What is the molecular weight of 2-[[5-(benzylsulfanylmethyl)-4-(5-chloro-2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The molecular weight of 2-[[5-(benzylsulfanylmethyl)-4-(5-chloro-2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is 434.06 g/mol.
Where can I buy 2-[[5-(benzylsulfanylmethyl)-4-(5-chloro-2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
You can request a quote for 2-[[5-(benzylsulfanylmethyl)-4-(5-chloro-2-methoxyphenyl)-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 2-[[5-(benzylsulfanylmethyl)-4-(5-chloro-2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[[5-(benzylsulfanylmethyl)-4-(5-chloro-2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.