![3,4-dichloro-N-(1-{5-[(2-chlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}ethyl)benzamide structure](/static/products/7082/708248-85-5.webp)
3,4-dichloro-N-(1-{5-[(2-chlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}ethyl)benzamide
TL;DR: 3,4-dichloro-N-(1-{5-[(2-chlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}ethyl)benzamide (CAS 708248-85-5) is a chemical compound with molecular formula C20H19Cl3N4OS and molecular weight 468.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dichloro-N-[1-[5-[(2-chlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzamide
Also Known As: 3,4-dichloro-N-(1-{5-[(2-chlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}ethyl)benzamide, 3,4-dichloro-N-[1-[5-[(2-chlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzamide
| Molecular Formula | C20H19Cl3N4OS |
|---|---|
| Molecular Weight | 468.03 g/mol |
| LogP | 6.0415 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 468.03452 |
| Heavy Atoms | 29 |
| Complexity | 1024.7109 |
Chemical Identifiers
| CAS Number | 708248-85-5 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=CC=CC=C2Cl)C(C)NC(=O)C3=CC(=C(C=C3)Cl)Cl |
Product Overview
3,4-dichloro-N-(1-{5-[(2-chlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}ethyl)benzamide (CAS 708248-85-5), with molecular formula C20H19Cl3N4OS and molecular weight 468.03 g/mol. IUPAC: 3,4-dichloro-N-[1-[5-[(2-chlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzamide.
Chemical Property Profile of 3,4-dichloro-N-(1-{5-[(2-chlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}ethyl)benzamide
Property Insights of 3,4-dichloro-N-(1-{5-[(2-chlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}ethyl)benzamide
The XLogP value of 6.0415 indicates that 3,4-dichloro-N-(1-{5-[(2-chlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}ethyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, 3,4-dichloro-N-(1-{5-[(2-chlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}ethyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-dichloro-N-(1-{5-[(2-chlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}ethyl)benzamide has 1 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 3,4-dichloro-N-(1-{5-[(2-chlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}ethyl)benzamide?
The CAS number of 3,4-dichloro-N-(1-{5-[(2-chlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}ethyl)benzamide is 708248-85-5.
What is the molecular formula of 3,4-dichloro-N-(1-{5-[(2-chlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}ethyl)benzamide?
The molecular formula of 3,4-dichloro-N-(1-{5-[(2-chlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}ethyl)benzamide is C20H19Cl3N4OS.
What is the molecular weight of 3,4-dichloro-N-(1-{5-[(2-chlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}ethyl)benzamide?
The molecular weight of 3,4-dichloro-N-(1-{5-[(2-chlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}ethyl)benzamide is 468.03 g/mol.
Where can I buy 3,4-dichloro-N-(1-{5-[(2-chlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}ethyl)benzamide?
You can request a quote for 3,4-dichloro-N-(1-{5-[(2-chlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}ethyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-dichloro-N-(1-{5-[(2-chlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}ethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dichloro-N-(1-{5-[(2-chlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}ethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.