![N-[[5-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide structure](/static/products/6944/694485-07-9.webp)
N-[[5-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide
TL;DR: N-[[5-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide (CAS 694485-07-9) is a chemical compound with molecular formula C21H19Cl2N5O4S and molecular weight 507.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide
Also Known As: N-[[5-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide, N-{[5-({2-[(2,3-dichlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}-1,3-benzodioxole-5-carboxamide
| Molecular Formula | C21H19Cl2N5O4S |
|---|---|
| Molecular Weight | 507.05 g/mol |
| LogP | 3.9943 |
| Topological Polar Surface Area | 107.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 507.05347 |
| Heavy Atoms | 33 |
| Complexity | 1203.3933 |
Chemical Identifiers
| CAS Number | 694485-07-9 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=C(C(=CC=C2)Cl)Cl)CNC(=O)C3=CC4=C(C=C3)OCO4 |
Product Overview
N-[[5-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide (CAS 694485-07-9), with molecular formula C21H19Cl2N5O4S and molecular weight 507.05 g/mol. IUPAC: N-[[5-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide.
Chemical Property Profile of N-[[5-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide
Property Insights of N-[[5-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide
The XLogP value of 3.9943 indicates that N-[[5-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.37 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[5-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide. Following Lipinski's Rule of Five, N-[[5-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide has 2 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-[[5-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide?
The CAS number of N-[[5-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide is 694485-07-9.
What is the molecular formula of N-[[5-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide?
The molecular formula of N-[[5-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide is C21H19Cl2N5O4S.
What is the molecular weight of N-[[5-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide?
The molecular weight of N-[[5-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide is 507.05 g/mol.
Where can I buy N-[[5-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide?
You can request a quote for N-[[5-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[5-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[5-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.