![N-[(4-ethyl-5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide structure](/static/products/6944/694485-62-6.webp)
N-[(4-ethyl-5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide
TL;DR: N-[(4-ethyl-5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide (CAS 694485-62-6) is a chemical compound with molecular formula C22H25N5O4S and molecular weight 455.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-(2-anilino-2-oxoethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxybenzamide
Also Known As: N-[(4-ethyl-5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide, N-[[5-(2-anilino-2-oxoethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxybenzamide, N-({5-[(2-anilino-2-oxoethyl)thio]-4-ethyl-4H-1,2,4-triazol-3-yl}methyl)-3,4-dimethoxybenzamide
| Molecular Formula | C22H25N5O4S |
|---|---|
| Molecular Weight | 455.16 g/mol |
| LogP | 2.976 |
| Topological Polar Surface Area | 107.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 455.16272 |
| Heavy Atoms | 32 |
| Complexity | 1071.4381 |
Chemical Identifiers
| CAS Number | 694485-62-6 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CNC(=O)C3=CC(=C(C=C3)OC)OC |
Product Overview
N-[(4-ethyl-5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide (CAS 694485-62-6), with molecular formula C22H25N5O4S and molecular weight 455.16 g/mol. IUPAC: N-[[5-(2-anilino-2-oxoethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxybenzamide.
Chemical Property Profile of N-[(4-ethyl-5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide
Property Insights of N-[(4-ethyl-5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide
The XLogP value of 2.976 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(4-ethyl-5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide. The TPSA of 107.37 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(4-ethyl-5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide. Following Lipinski's Rule of Five, N-[(4-ethyl-5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide has 2 hydrogen bond donor(s) and 7 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-[(4-ethyl-5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide?
The CAS number of N-[(4-ethyl-5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide is 694485-62-6.
What is the molecular formula of N-[(4-ethyl-5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide?
The molecular formula of N-[(4-ethyl-5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide is C22H25N5O4S.
What is the molecular weight of N-[(4-ethyl-5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide?
The molecular weight of N-[(4-ethyl-5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide is 455.16 g/mol.
Where can I buy N-[(4-ethyl-5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide?
You can request a quote for N-[(4-ethyl-5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(4-ethyl-5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-ethyl-5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.