F1806-0079
TL;DR: F1806-0079 (CAS 868221-74-3) is a chemical compound with molecular formula C14H12ClN5S2 and molecular weight 349.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine
Also Known As: F1806-0079, 2-(((4-(4-chlorophenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)thio)pyrimidine, 2-({[4-(4-chlorophenyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}sulfanyl)pyrimidine, 2-[[4-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine
| Molecular Formula | C14H12ClN5S2 |
|---|---|
| Molecular Weight | 349.02 g/mol |
| LogP | 3.7249 |
| Topological Polar Surface Area | 56.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.02228 |
| Heavy Atoms | 22 |
| Complexity | 745.6846 |
Chemical Identifiers
| CAS Number | 868221-74-3 |
|---|---|
| SMILES | CSC1=NN=C(N1C2=CC=C(C=C2)Cl)CSC3=NC=CC=N3 |
Product Overview
F1806-0079 (CAS 868221-74-3), with molecular formula C14H12ClN5S2 and molecular weight 349.02 g/mol. IUPAC: 2-[[4-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine.
Chemical Property Profile of F1806-0079
Property Insights of F1806-0079
The XLogP value of 3.7249 indicates that F1806-0079 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.49 Ų, F1806-0079 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F1806-0079 has 0 hydrogen bond donor(s) and 6 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 F1806-0079?
The CAS number of F1806-0079 is 868221-74-3.
What is the molecular formula of F1806-0079?
The molecular formula of F1806-0079 is C14H12ClN5S2.
What is the molecular weight of F1806-0079?
The molecular weight of F1806-0079 is 349.02 g/mol.
Where can I buy F1806-0079?
You can request a quote for F1806-0079 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1806-0079?
Yes, KEHONG BIO provides custom synthesis services for F1806-0079 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.