![2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)butanamide structure](/static/products/7012/701239-13-6.webp)
2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)butanamide
TL;DR: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)butanamide (CAS 701239-13-6) is a chemical compound with molecular formula C19H20N6O3S and molecular weight 412.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)butanamide
Also Known As: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)butanamide, 2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-nitrophenyl)butanamide
| Molecular Formula | C19H20N6O3S |
|---|---|
| Molecular Weight | 412.13 g/mol |
| LogP | 3.7776 |
| Topological Polar Surface Area | 115.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 412.13177 |
| Heavy Atoms | 29 |
| Complexity | 1008.1889 |
Chemical Identifiers
| CAS Number | 701239-13-6 |
|---|---|
| SMILES | CCC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(N2CC)C3=CC=NC=C3 |
Product Overview
2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)butanamide (CAS 701239-13-6), with molecular formula C19H20N6O3S and molecular weight 412.13 g/mol. IUPAC: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)butanamide.
Chemical Property Profile of 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)butanamide
Property Insights of 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)butanamide
The XLogP value of 3.7776 indicates that 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)butanamide. Following Lipinski's Rule of Five, 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)butanamide has 1 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 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)butanamide?
The CAS number of 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)butanamide is 701239-13-6.
What is the molecular formula of 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)butanamide?
The molecular formula of 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)butanamide is C19H20N6O3S.
What is the molecular weight of 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)butanamide?
The molecular weight of 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)butanamide is 412.13 g/mol.
Where can I buy 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)butanamide?
You can request a quote for 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.