C19H18FN3OS
TL;DR: C19H18FN3OS (CAS 849032-12-8) is a chemical compound with molecular formula C19H18FN3OS and molecular weight 355.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-fluorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole
Also Known As: 4-allyl-3-((3-fluorobenzyl)thio)-5-(4-methoxyphenyl)-4H-1,2,4-triazole, 3-[(3-fluorobenzyl)sulfanyl]-5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole, 3-[(3-fluorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole
| Molecular Formula | C19H18FN3OS |
|---|---|
| Molecular Weight | 355.12 g/mol |
| LogP | 4.5711 |
| Topological Polar Surface Area | 39.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 355.11545 |
| Heavy Atoms | 25 |
| Complexity | 861.3607 |
Chemical Identifiers
| CAS Number | 849032-12-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC3=CC(=CC=C3)F |
Product Overview
C19H18FN3OS (CAS 849032-12-8), with molecular formula C19H18FN3OS and molecular weight 355.12 g/mol. IUPAC: 3-[(3-fluorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole.
Chemical Property Profile of C19H18FN3OS
Property Insights of C19H18FN3OS
The XLogP value of 4.5711 indicates that C19H18FN3OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.94 Ų, C19H18FN3OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C19H18FN3OS has 0 hydrogen bond donor(s) and 4 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 C19H18FN3OS?
The CAS number of C19H18FN3OS is 849032-12-8.
What is the molecular formula of C19H18FN3OS?
The molecular formula of C19H18FN3OS is C19H18FN3OS.
What is the molecular weight of C19H18FN3OS?
The molecular weight of C19H18FN3OS is 355.12 g/mol.
Where can I buy C19H18FN3OS?
You can request a quote for C19H18FN3OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C19H18FN3OS?
Yes, KEHONG BIO provides custom synthesis services for C19H18FN3OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.