![N-[(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide structure](/static/products/6944/694474-54-9.webp)
N-[(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide
TL;DR: N-[(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide (CAS 694474-54-9) is a chemical compound with molecular formula C14H18N4O3S and molecular weight 322.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide
Also Known As: CBKinase1_004416, CBKinase1_016816, AN-698/42116989, N-[(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide, BRD-K18256797-001-01-8
| Molecular Formula | C14H18N4O3S |
|---|---|
| Molecular Weight | 322.11 g/mol |
| LogP | 1.90779 |
| Topological Polar Surface Area | 81.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 322.10995 |
| Heavy Atoms | 22 |
| Complexity | 723.1183 |
Chemical Identifiers
| CAS Number | 694474-54-9 |
|---|---|
| SMILES | CCN1C(=NNC1=S)CNC(=O)C2=CC(=C(C=C2)OC)OC |
Product Overview
N-[(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide (CAS 694474-54-9), with molecular formula C14H18N4O3S and molecular weight 322.11 g/mol. IUPAC: N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide.
Chemical Property Profile of N-[(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide
Property Insights of N-[(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide
The XLogP value of 1.90779 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide. The TPSA of 81.17 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide. Following Lipinski's Rule of Five, N-[(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide 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-[(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide?
The CAS number of N-[(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide is 694474-54-9.
What is the molecular formula of N-[(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide?
The molecular formula of N-[(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide is C14H18N4O3S.
What is the molecular weight of N-[(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide?
The molecular weight of N-[(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide is 322.11 g/mol.
Where can I buy N-[(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide?
You can request a quote for N-[(4-ethyl-5-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-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-ethyl-5-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.