C18H18FN5OS
TL;DR: C18H18FN5OS (CAS 586994-75-4) is a chemical compound with molecular formula C18H18FN5OS and molecular weight 371.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide
Also Known As: 2-{[4-amino-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethylphenyl)acetamide, 2-((4-amino-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-ethylphenyl)acetamide, 2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide, 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(4-ethylphenyl)acetam ide
| Molecular Formula | C18H18FN5OS |
|---|---|
| Molecular Weight | 371.12 g/mol |
| LogP | 3.0912 |
| Topological Polar Surface Area | 85.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 371.1216 |
| Heavy Atoms | 26 |
| Complexity | 892.9498 |
Chemical Identifiers
| CAS Number | 586994-75-4 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)F |
Product Overview
C18H18FN5OS (CAS 586994-75-4), with molecular formula C18H18FN5OS and molecular weight 371.12 g/mol. IUPAC: 2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide.
Chemical Property Profile of C18H18FN5OS
Property Insights of C18H18FN5OS
The XLogP value of 3.0912 indicates that C18H18FN5OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.83 Ų falls within the moderate polarity range, balancing permeability and solubility for C18H18FN5OS. Following Lipinski's Rule of Five, C18H18FN5OS has 2 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 C18H18FN5OS?
The CAS number of C18H18FN5OS is 586994-75-4.
What is the molecular formula of C18H18FN5OS?
The molecular formula of C18H18FN5OS is C18H18FN5OS.
What is the molecular weight of C18H18FN5OS?
The molecular weight of C18H18FN5OS is 371.12 g/mol.
Where can I buy C18H18FN5OS?
You can request a quote for C18H18FN5OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H18FN5OS?
Yes, KEHONG BIO provides custom synthesis services for C18H18FN5OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.