}methoxy)-4-methy lbenzene structure](/static/products/713/713090-83-6.png)
1-({4-ethyl-5-[(4-nitrophenyl)methylthio](1,2,4-triazol-3-yl)}methoxy)-4-methy lbenzene
TL;DR: 1-({4-ethyl-5-[(4-nitrophenyl)methylthio](1,2,4-triazol-3-yl)}methoxy)-4-methy lbenzene (CAS 713090-83-6) is a chemical compound with molecular formula C19H20N4O3S and molecular weight 384.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-3-[(4-methylphenoxy)methyl]-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole
Also Known As: 1-({4-ethyl-5-[(4-nitrophenyl)methylthio](1,2,4-triazol-3-yl)}methoxy)-4-methy lbenzene, 4-ethyl-3-((4-nitrobenzyl)thio)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazole, 4-ethyl-3-(4-methylphenoxymethyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-4H-1,2,4-triazole, 4-ethyl-3-[(4-methylphenoxy)methyl]-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole, 4-ethyl-3-[(4-methylphenoxy)methyl]-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole
| Molecular Formula | C19H20N4O3S |
|---|---|
| Molecular Weight | 384.13 g/mol |
| LogP | 4.38592 |
| Topological Polar Surface Area | 83.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 384.1256 |
| Heavy Atoms | 27 |
| Complexity | 907.7091 |
Chemical Identifiers
| CAS Number | 713090-83-6 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])COC3=CC=C(C=C3)C |
Product Overview
1-({4-ethyl-5-[(4-nitrophenyl)methylthio](1,2,4-triazol-3-yl)}methoxy)-4-methy lbenzene (CAS 713090-83-6), with molecular formula C19H20N4O3S and molecular weight 384.13 g/mol. IUPAC: 4-ethyl-3-[(4-methylphenoxy)methyl]-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole.
Chemical Property Profile of 1-({4-ethyl-5-[(4-nitrophenyl)methylthio](1,2,4-triazol-3-yl)}methoxy)-4-methy lbenzene
Property Insights of 1-({4-ethyl-5-[(4-nitrophenyl)methylthio](1,2,4-triazol-3-yl)}methoxy)-4-methy lbenzene
The XLogP value of 4.38592 indicates that 1-({4-ethyl-5-[(4-nitrophenyl)methylthio](1,2,4-triazol-3-yl)}methoxy)-4-methy lbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-({4-ethyl-5-[(4-nitrophenyl)methylthio](1,2,4-triazol-3-yl)}methoxy)-4-methy lbenzene. Following Lipinski's Rule of Five, 1-({4-ethyl-5-[(4-nitrophenyl)methylthio](1,2,4-triazol-3-yl)}methoxy)-4-methy lbenzene has 0 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 1-({4-ethyl-5-[(4-nitrophenyl)methylthio](1,2,4-triazol-3-yl)}methoxy)-4-methy lbenzene?
The CAS number of 1-({4-ethyl-5-[(4-nitrophenyl)methylthio](1,2,4-triazol-3-yl)}methoxy)-4-methy lbenzene is 713090-83-6.
What is the molecular formula of 1-({4-ethyl-5-[(4-nitrophenyl)methylthio](1,2,4-triazol-3-yl)}methoxy)-4-methy lbenzene?
The molecular formula of 1-({4-ethyl-5-[(4-nitrophenyl)methylthio](1,2,4-triazol-3-yl)}methoxy)-4-methy lbenzene is C19H20N4O3S.
What is the molecular weight of 1-({4-ethyl-5-[(4-nitrophenyl)methylthio](1,2,4-triazol-3-yl)}methoxy)-4-methy lbenzene?
The molecular weight of 1-({4-ethyl-5-[(4-nitrophenyl)methylthio](1,2,4-triazol-3-yl)}methoxy)-4-methy lbenzene is 384.13 g/mol.
Where can I buy 1-({4-ethyl-5-[(4-nitrophenyl)methylthio](1,2,4-triazol-3-yl)}methoxy)-4-methy lbenzene?
You can request a quote for 1-({4-ethyl-5-[(4-nitrophenyl)methylthio](1,2,4-triazol-3-yl)}methoxy)-4-methy lbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-({4-ethyl-5-[(4-nitrophenyl)methylthio](1,2,4-triazol-3-yl)}methoxy)-4-methy lbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-({4-ethyl-5-[(4-nitrophenyl)methylthio](1,2,4-triazol-3-yl)}methoxy)-4-methy lbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.