C16H11Cl2F2N5OS
TL;DR: C16H11Cl2F2N5OS (CAS 752989-20-1) is a chemical compound with molecular formula C16H11Cl2F2N5OS and molecular weight 429.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-difluorophenyl)acetamide
Also Known As: 2-[4-amino-5-(2,4-dichlorophenyl)(1,2,4-triazol-3-ylthio)]-N-(3,4-difluorophen yl)acetamide, 2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-difluorophenyl)acetamide, 2-((4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,4-difluorophenyl)acetamide, 2-{[4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-difluorophenyl)acetamide
| Molecular Formula | C16H11Cl2F2N5OS |
|---|---|
| Molecular Weight | 429.00 g/mol |
| LogP | 3.9747 |
| Topological Polar Surface Area | 85.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.00293 |
| Heavy Atoms | 27 |
| Complexity | 1014.4709 |
Chemical Identifiers
| CAS Number | 752989-20-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1NC(=O)CSC2=NN=C(N2N)C3=C(C=C(C=C3)Cl)Cl)F)F |
Product Overview
C16H11Cl2F2N5OS (CAS 752989-20-1), with molecular formula C16H11Cl2F2N5OS and molecular weight 429.00 g/mol. IUPAC: 2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-difluorophenyl)acetamide.
Chemical Property Profile of C16H11Cl2F2N5OS
Property Insights of C16H11Cl2F2N5OS
The XLogP value of 3.9747 indicates that C16H11Cl2F2N5OS 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 C16H11Cl2F2N5OS. Following Lipinski's Rule of Five, C16H11Cl2F2N5OS 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 C16H11Cl2F2N5OS?
The CAS number of C16H11Cl2F2N5OS is 752989-20-1.
What is the molecular formula of C16H11Cl2F2N5OS?
The molecular formula of C16H11Cl2F2N5OS is C16H11Cl2F2N5OS.
What is the molecular weight of C16H11Cl2F2N5OS?
The molecular weight of C16H11Cl2F2N5OS is 429.00 g/mol.
Where can I buy C16H11Cl2F2N5OS?
You can request a quote for C16H11Cl2F2N5OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H11Cl2F2N5OS?
Yes, KEHONG BIO provides custom synthesis services for C16H11Cl2F2N5OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.