![N-(1-{4-ethyl-5-[(2-oxo-2-{[2-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)-4-methoxybenzamide structure](/static/products/7142/714281-39-7.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)-4-methoxybenzamide
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)-4-methoxybenzamide (CAS 714281-39-7) is a chemical compound with molecular formula C25H31N5O3S and molecular weight 481.21 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]-4-methoxybenzamide
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)-4-methoxybenzamide, N-[1-[4-ethyl-5-[2-oxo-2-(2-propan-2-ylanilino)ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-4-methoxybenzamide
| Molecular Formula | C25H31N5O3S |
|---|---|
| Molecular Weight | 481.21 g/mol |
| LogP | 4.6518 |
| Topological Polar Surface Area | 98.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 481.21475 |
| Heavy Atoms | 34 |
| Complexity | 1127.8347 |
Chemical Identifiers
| CAS Number | 714281-39-7 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(C)C)C(C)NC(=O)C3=CC=C(C=C3)OC |
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)-4-methoxybenzamide (CAS 714281-39-7), with molecular formula C25H31N5O3S and molecular weight 481.21 g/mol. IUPAC: N-[1-[4-ethyl-5-[2-oxo-2-(2-propan-2-ylanilino)ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-4-methoxybenzamide.
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)-4-methoxybenzamide
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)-4-methoxybenzamide
The XLogP value of 4.6518 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)-4-methoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.14 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)-4-methoxybenzamide. 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)-4-methoxybenzamide has 2 hydrogen bond donor(s) and 6 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)-4-methoxybenzamide?
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)-4-methoxybenzamide is 714281-39-7.
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)-4-methoxybenzamide?
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)-4-methoxybenzamide is C25H31N5O3S.
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)-4-methoxybenzamide?
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)-4-methoxybenzamide is 481.21 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)-4-methoxybenzamide?
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)-4-methoxybenzamide 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)-4-methoxybenzamide?
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)-4-methoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.