Bionet1_004641
TL;DR: Bionet1_004641 (CAS 478079-73-1) is a chemical compound with molecular formula C20H18FN3S and molecular weight 351.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-fluorophenyl)methylsulfanyl]-5-(2-phenylethenyl)-4-prop-2-enyl-1,2,4-triazole
Also Known As: Bionet1_004641, 3-[(4-fluorophenyl)methylsulfanyl]-5-(2-phenylethenyl)-4-prop-2-enyl-1,2,4-triazole, 4-allyl-3-[(4-fluorobenzyl)sulfanyl]-5-[(E)-2-phenylethenyl]-4H-1,2,4-triazole
| Molecular Formula | C20H18FN3S |
|---|---|
| Molecular Weight | 351.12 g/mol |
| LogP | 5.0659 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 351.12054 |
| Heavy Atoms | 25 |
| Complexity | 854.4076 |
Chemical Identifiers
| CAS Number | 478079-73-1 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC2=CC=C(C=C2)F)C=CC3=CC=CC=C3 |
Product Overview
Bionet1_004641 (CAS 478079-73-1), with molecular formula C20H18FN3S and molecular weight 351.12 g/mol. IUPAC: 3-[(4-fluorophenyl)methylsulfanyl]-5-(2-phenylethenyl)-4-prop-2-enyl-1,2,4-triazole.
Chemical Property Profile of Bionet1_004641
Property Insights of Bionet1_004641
The XLogP value of 5.0659 indicates that Bionet1_004641 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.71 Ų, Bionet1_004641 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_004641 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bionet1_004641?
The CAS number of Bionet1_004641 is 478079-73-1.
What is the molecular formula of Bionet1_004641?
The molecular formula of Bionet1_004641 is C20H18FN3S.
What is the molecular weight of Bionet1_004641?
The molecular weight of Bionet1_004641 is 351.12 g/mol.
Where can I buy Bionet1_004641?
You can request a quote for Bionet1_004641 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_004641?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_004641 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.