![N-(1,3-benzothiazol-2-yl)-2-({5-[(2-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide structure](/static/products/6944/694467-34-0.webp)
N-(1,3-benzothiazol-2-yl)-2-({5-[(2-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
TL;DR: N-(1,3-benzothiazol-2-yl)-2-({5-[(2-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide (CAS 694467-34-0) is a chemical compound with molecular formula C20H18ClN5O2S2 and molecular weight 459.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzothiazol-2-yl)-2-[[5-[(2-chlorophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(1,3-benzothiazol-2-yl)-2-({5-[(2-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide, N-(1,3-benzothiazol-2-yl)-2-[[5-[(2-chlorophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C20H18ClN5O2S2 |
|---|---|
| Molecular Weight | 459.06 g/mol |
| LogP | 4.8709 |
| Topological Polar Surface Area | 81.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 459.05905 |
| Heavy Atoms | 30 |
| Complexity | 1143.9408 |
Chemical Identifiers
| CAS Number | 694467-34-0 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=NC3=CC=CC=C3S2)COC4=CC=CC=C4Cl |
Product Overview
N-(1,3-benzothiazol-2-yl)-2-({5-[(2-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide (CAS 694467-34-0), with molecular formula C20H18ClN5O2S2 and molecular weight 459.06 g/mol. IUPAC: N-(1,3-benzothiazol-2-yl)-2-[[5-[(2-chlorophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(1,3-benzothiazol-2-yl)-2-({5-[(2-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Property Insights of N-(1,3-benzothiazol-2-yl)-2-({5-[(2-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
The XLogP value of 4.8709 indicates that N-(1,3-benzothiazol-2-yl)-2-({5-[(2-chlorophenoxy)methyl]-4-ethyl-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 81.93 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzothiazol-2-yl)-2-({5-[(2-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide. Following Lipinski's Rule of Five, N-(1,3-benzothiazol-2-yl)-2-({5-[(2-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide has 1 hydrogen bond donor(s) and 7 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 N-(1,3-benzothiazol-2-yl)-2-({5-[(2-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
The CAS number of N-(1,3-benzothiazol-2-yl)-2-({5-[(2-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide is 694467-34-0.
What is the molecular formula of N-(1,3-benzothiazol-2-yl)-2-({5-[(2-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
The molecular formula of N-(1,3-benzothiazol-2-yl)-2-({5-[(2-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide is C20H18ClN5O2S2.
What is the molecular weight of N-(1,3-benzothiazol-2-yl)-2-({5-[(2-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
The molecular weight of N-(1,3-benzothiazol-2-yl)-2-({5-[(2-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide is 459.06 g/mol.
Where can I buy N-(1,3-benzothiazol-2-yl)-2-({5-[(2-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
You can request a quote for N-(1,3-benzothiazol-2-yl)-2-({5-[(2-chlorophenoxy)methyl]-4-ethyl-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-(1,3-benzothiazol-2-yl)-2-({5-[(2-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzothiazol-2-yl)-2-({5-[(2-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.