C16H13ClFN5OS
TL;DR: C16H13ClFN5OS (CAS 578697-72-0) is a chemical compound with molecular formula C16H13ClFN5OS and molecular weight 377.05 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-(3-chlorophenyl)acetamide
Also Known As: 2-{[4-amino-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chlorophenyl)acetamide, 2-((4-amino-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-chlorophenyl)acetamide, 2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chlorophenyl)acetamide
| Molecular Formula | C16H13ClFN5OS |
|---|---|
| Molecular Weight | 377.05 g/mol |
| LogP | 3.1822 |
| Topological Polar Surface Area | 85.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.05133 |
| Heavy Atoms | 25 |
| Complexity | 899.79565 |
Chemical Identifiers
| CAS Number | 578697-72-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)NC(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)F |
Product Overview
C16H13ClFN5OS (CAS 578697-72-0), with molecular formula C16H13ClFN5OS and molecular weight 377.05 g/mol. IUPAC: 2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chlorophenyl)acetamide.
Chemical Property Profile of C16H13ClFN5OS
Property Insights of C16H13ClFN5OS
The XLogP value of 3.1822 indicates that C16H13ClFN5OS 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 C16H13ClFN5OS. Following Lipinski's Rule of Five, C16H13ClFN5OS 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 C16H13ClFN5OS?
The CAS number of C16H13ClFN5OS is 578697-72-0.
What is the molecular formula of C16H13ClFN5OS?
The molecular formula of C16H13ClFN5OS is C16H13ClFN5OS.
What is the molecular weight of C16H13ClFN5OS?
The molecular weight of C16H13ClFN5OS is 377.05 g/mol.
Where can I buy C16H13ClFN5OS?
You can request a quote for C16H13ClFN5OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H13ClFN5OS?
Yes, KEHONG BIO provides custom synthesis services for C16H13ClFN5OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.