![N-(1,3-benzothiazol-2-yl)-2-({4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide structure](/static/products/6944/694458-32-7.webp)
N-(1,3-benzothiazol-2-yl)-2-({4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
TL;DR: N-(1,3-benzothiazol-2-yl)-2-({4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide (CAS 694458-32-7) is a chemical compound with molecular formula C23H25N5O2S2 and molecular weight 467.14 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-[[4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(1,3-benzothiazol-2-yl)-2-({4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide, N-(1,3-benzothiazol-2-yl)-2-[[4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-benzothiazol-2-yl-2-[[4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C23H25N5O2S2 |
|---|---|
| Molecular Weight | 467.14 g/mol |
| LogP | 5.3409 |
| Topological Polar Surface Area | 81.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 467.14496 |
| Heavy Atoms | 32 |
| Complexity | 1169.8063 |
Chemical Identifiers
| CAS Number | 694458-32-7 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)OC(C)C2=NN=C(N2CC)SCC(=O)NC3=NC4=CC=CC=C4S3 |
Product Overview
N-(1,3-benzothiazol-2-yl)-2-({4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide (CAS 694458-32-7), with molecular formula C23H25N5O2S2 and molecular weight 467.14 g/mol. IUPAC: N-(1,3-benzothiazol-2-yl)-2-[[4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(1,3-benzothiazol-2-yl)-2-({4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Property Insights of N-(1,3-benzothiazol-2-yl)-2-({4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
The XLogP value of 5.3409 indicates that N-(1,3-benzothiazol-2-yl)-2-({4-ethyl-5-[1-(4-ethylphenoxy)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-({4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide. Following Lipinski's Rule of Five, N-(1,3-benzothiazol-2-yl)-2-({4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(1,3-benzothiazol-2-yl)-2-({4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
The CAS number of N-(1,3-benzothiazol-2-yl)-2-({4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide is 694458-32-7.
What is the molecular formula of N-(1,3-benzothiazol-2-yl)-2-({4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
The molecular formula of N-(1,3-benzothiazol-2-yl)-2-({4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide is C23H25N5O2S2.
What is the molecular weight of N-(1,3-benzothiazol-2-yl)-2-({4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
The molecular weight of N-(1,3-benzothiazol-2-yl)-2-({4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide is 467.14 g/mol.
Where can I buy N-(1,3-benzothiazol-2-yl)-2-({4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
You can request a quote for N-(1,3-benzothiazol-2-yl)-2-({4-ethyl-5-[1-(4-ethylphenoxy)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-({4-ethyl-5-[1-(4-ethylphenoxy)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-({4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.