![2-chloro-N-[[4-ethyl-5-[2-(4-iodoanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide structure](/static/products/6945/694502-63-1.webp)
2-chloro-N-[[4-ethyl-5-[2-(4-iodoanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide
TL;DR: 2-chloro-N-[[4-ethyl-5-[2-(4-iodoanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide (CAS 694502-63-1) is a chemical compound with molecular formula C20H19ClIN5O2S and molecular weight 555.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[[4-ethyl-5-[2-(4-iodoanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: 2-chloro-N-[[4-ethyl-5-[2-(4-iodoanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide, 2-chloro-N-{[4-ethyl-5-({2-[(4-iodophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide, 2-chloro-N-[[4-ethyl-5-[(4-iodophenyl)carbamoylmethylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzamide
| Molecular Formula | C20H19ClIN5O2S |
|---|---|
| Molecular Weight | 555.00 g/mol |
| LogP | 4.2168 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 554.99927 |
| Heavy Atoms | 30 |
| Complexity | 1041.931 |
Chemical Identifiers
| CAS Number | 694502-63-1 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)I)CNC(=O)C3=CC=CC=C3Cl |
Product Overview
2-chloro-N-[[4-ethyl-5-[2-(4-iodoanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide (CAS 694502-63-1), with molecular formula C20H19ClIN5O2S and molecular weight 555.00 g/mol. IUPAC: 2-chloro-N-[[4-ethyl-5-[2-(4-iodoanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide.
Chemical Property Profile of 2-chloro-N-[[4-ethyl-5-[2-(4-iodoanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide
Property Insights of 2-chloro-N-[[4-ethyl-5-[2-(4-iodoanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide
The XLogP value of 4.2168 indicates that 2-chloro-N-[[4-ethyl-5-[2-(4-iodoanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-N-[[4-ethyl-5-[2-(4-iodoanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide. Following Lipinski's Rule of Five, 2-chloro-N-[[4-ethyl-5-[2-(4-iodoanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-chloro-N-[[4-ethyl-5-[2-(4-iodoanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide?
The CAS number of 2-chloro-N-[[4-ethyl-5-[2-(4-iodoanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide is 694502-63-1.
What is the molecular formula of 2-chloro-N-[[4-ethyl-5-[2-(4-iodoanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide?
The molecular formula of 2-chloro-N-[[4-ethyl-5-[2-(4-iodoanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide is C20H19ClIN5O2S.
What is the molecular weight of 2-chloro-N-[[4-ethyl-5-[2-(4-iodoanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide?
The molecular weight of 2-chloro-N-[[4-ethyl-5-[2-(4-iodoanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide is 555.00 g/mol.
Where can I buy 2-chloro-N-[[4-ethyl-5-[2-(4-iodoanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide?
You can request a quote for 2-chloro-N-[[4-ethyl-5-[2-(4-iodoanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-N-[[4-ethyl-5-[2-(4-iodoanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-[[4-ethyl-5-[2-(4-iodoanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.