Bionet1_004643
TL;DR: Bionet1_004643 (CAS 478079-75-3) is a chemical compound with molecular formula C19H18N4O2S and molecular weight 366.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-3-[(3-nitrophenyl)methylsulfanyl]-5-[(E)-2-phenylethenyl]-1,2,4-triazole
Also Known As: Bionet1_004643, 4-ethyl-3-{[(3-nitrophenyl)methyl]sulfanyl}-5-[(E)-2-phenylethenyl]-4H-1,2,4-triazole, 7R-1245, 4-ethyl-3-[(3-nitrobenzyl)sulfanyl]-5-[(E)-2-phenylethenyl]-4H-1,2,4-triazole, 4-ethyl-3-[(3-nitrophenyl)methylsulfanyl]-5-[(E)-2-phenylethenyl]-1,2,4-triazole
| Molecular Formula | C19H18N4O2S |
|---|---|
| Molecular Weight | 366.12 g/mol |
| LogP | 4.6689 |
| Topological Polar Surface Area | 73.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 366.11505 |
| Heavy Atoms | 26 |
| Complexity | 922.2984 |
Chemical Identifiers
| CAS Number | 478079-75-3 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=CC(=CC=C2)[N+](=O)[O-])/C=C/C3=CC=CC=C3 |
Product Overview
Bionet1_004643 (CAS 478079-75-3), with molecular formula C19H18N4O2S and molecular weight 366.12 g/mol. IUPAC: 4-ethyl-3-[(3-nitrophenyl)methylsulfanyl]-5-[(E)-2-phenylethenyl]-1,2,4-triazole.
Chemical Property Profile of Bionet1_004643
Property Insights of Bionet1_004643
The XLogP value of 4.6689 indicates that Bionet1_004643 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.85 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_004643. Following Lipinski's Rule of Five, Bionet1_004643 has 0 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 Bionet1_004643?
The CAS number of Bionet1_004643 is 478079-75-3.
What is the molecular formula of Bionet1_004643?
The molecular formula of Bionet1_004643 is C19H18N4O2S.
What is the molecular weight of Bionet1_004643?
The molecular weight of Bionet1_004643 is 366.12 g/mol.
Where can I buy Bionet1_004643?
You can request a quote for Bionet1_004643 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_004643?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_004643 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.