![N-[4-[4-methyl-5-[2-(3-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]propanamide structure](/static/products/6944/694485-95-5.webp)
N-[4-[4-methyl-5-[2-(3-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]propanamide
TL;DR: N-[4-[4-methyl-5-[2-(3-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]propanamide (CAS 694485-95-5) is a chemical compound with molecular formula C20H20N6O4S and molecular weight 440.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[4-methyl-5-[2-(3-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]propanamide
Also Known As: N-[4-[4-methyl-5-[2-(3-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]propanamide, N-{4-[4-methyl-5-({2-[(3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]phenyl}propanamide, N-[4-[4-methyl-5-[(3-nitrophenyl)carbamoylmethylsulfanyl]-1,2,4-triazol-3-yl]phenyl]propanamide
| Molecular Formula | C20H20N6O4S |
|---|---|
| Molecular Weight | 440.13 g/mol |
| LogP | 3.4696 |
| Topological Polar Surface Area | 132.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 440.12668 |
| Heavy Atoms | 31 |
| Complexity | 1113.1128 |
Chemical Identifiers
| CAS Number | 694485-95-5 |
|---|---|
| SMILES | CCC(=O)NC1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
N-[4-[4-methyl-5-[2-(3-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]propanamide (CAS 694485-95-5), with molecular formula C20H20N6O4S and molecular weight 440.13 g/mol. IUPAC: N-[4-[4-methyl-5-[2-(3-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]propanamide.
Chemical Property Profile of N-[4-[4-methyl-5-[2-(3-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]propanamide
Property Insights of N-[4-[4-methyl-5-[2-(3-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]propanamide
The XLogP value of 3.4696 indicates that N-[4-[4-methyl-5-[2-(3-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.05 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[4-[4-methyl-5-[2-(3-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]propanamide. Following Lipinski's Rule of Five, N-[4-[4-methyl-5-[2-(3-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]propanamide 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-[4-methyl-5-[2-(3-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]propanamide?
The CAS number of N-[4-[4-methyl-5-[2-(3-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]propanamide is 694485-95-5.
What is the molecular formula of N-[4-[4-methyl-5-[2-(3-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]propanamide?
The molecular formula of N-[4-[4-methyl-5-[2-(3-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]propanamide is C20H20N6O4S.
What is the molecular weight of N-[4-[4-methyl-5-[2-(3-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]propanamide?
The molecular weight of N-[4-[4-methyl-5-[2-(3-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]propanamide is 440.13 g/mol.
Where can I buy N-[4-[4-methyl-5-[2-(3-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]propanamide?
You can request a quote for N-[4-[4-methyl-5-[2-(3-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[4-[4-methyl-5-[2-(3-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-[4-methyl-5-[2-(3-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.