![N-(1-{4-ethyl-5-[(2-oxo-2-{[2-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)benzamide structure](/static/products/6932/693267-22-0.webp)
N-(1-{4-ethyl-5-[(2-oxo-2-{[2-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)benzamide
TL;DR: N-(1-{4-ethyl-5-[(2-oxo-2-{[2-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)benzamide (CAS 693267-22-0) is a chemical compound with molecular formula C24H29N5O2S and molecular weight 451.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[4-ethyl-5-[2-oxo-2-(2-propan-2-ylanilino)ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide
Also Known As: N-(1-{4-ethyl-5-[(2-oxo-2-{[2-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)benzamide, N-[1-[4-ethyl-5-[2-oxo-2-(2-propan-2-ylanilino)ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide, N-[1-[4-ethyl-5-[(2-propan-2-ylphenyl)carbamoylmethylsulfanyl]-1,2,4-triazol-3-yl]ethyl]benzamide
| Molecular Formula | C24H29N5O2S |
|---|---|
| Molecular Weight | 451.20 g/mol |
| LogP | 4.6432 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 451.2042 |
| Heavy Atoms | 32 |
| Complexity | 1065.2614 |
Chemical Identifiers
| CAS Number | 693267-22-0 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(C)C)C(C)NC(=O)C3=CC=CC=C3 |
Product Overview
N-(1-{4-ethyl-5-[(2-oxo-2-{[2-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)benzamide (CAS 693267-22-0), with molecular formula C24H29N5O2S and molecular weight 451.20 g/mol. IUPAC: N-[1-[4-ethyl-5-[2-oxo-2-(2-propan-2-ylanilino)ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide.
Chemical Property Profile of N-(1-{4-ethyl-5-[(2-oxo-2-{[2-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)benzamide
Property Insights of N-(1-{4-ethyl-5-[(2-oxo-2-{[2-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)benzamide
The XLogP value of 4.6432 indicates that N-(1-{4-ethyl-5-[(2-oxo-2-{[2-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)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 N-(1-{4-ethyl-5-[(2-oxo-2-{[2-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)benzamide. Following Lipinski's Rule of Five, N-(1-{4-ethyl-5-[(2-oxo-2-{[2-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)benzamide has 2 hydrogen bond donor(s) and 5 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-{4-ethyl-5-[(2-oxo-2-{[2-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)benzamide?
The CAS number of N-(1-{4-ethyl-5-[(2-oxo-2-{[2-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)benzamide is 693267-22-0.
What is the molecular formula of N-(1-{4-ethyl-5-[(2-oxo-2-{[2-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)benzamide?
The molecular formula of N-(1-{4-ethyl-5-[(2-oxo-2-{[2-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)benzamide is C24H29N5O2S.
What is the molecular weight of N-(1-{4-ethyl-5-[(2-oxo-2-{[2-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)benzamide?
The molecular weight of N-(1-{4-ethyl-5-[(2-oxo-2-{[2-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)benzamide is 451.20 g/mol.
Where can I buy N-(1-{4-ethyl-5-[(2-oxo-2-{[2-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)benzamide?
You can request a quote for N-(1-{4-ethyl-5-[(2-oxo-2-{[2-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-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 N-(1-{4-ethyl-5-[(2-oxo-2-{[2-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-{4-ethyl-5-[(2-oxo-2-{[2-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.