F1806-0081
TL;DR: F1806-0081 (CAS 868221-76-5) is a chemical compound with molecular formula C16H16ClN5S2 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-(4-chlorophenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine
Also Known As: F1806-0081, 2-(((4-(4-chlorophenyl)-5-(propylthio)-4H-1,2,4-triazol-3-yl)methyl)thio)pyrimidine, 2-({[4-(4-chlorophenyl)-5-(propylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}sulfanyl)pyrimidine, 2-[[4-(4-chlorophenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine, 4-(p-chlorophenyl)-5-(propylthio)-3-[(2-pyrimidinylthio)methyl]-4H-1,2,4-triazole
| Molecular Formula | C16H16ClN5S2 |
|---|---|
| Molecular Weight | 377.05 g/mol |
| LogP | 4.5051 |
| Topological Polar Surface Area | 56.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 377.05356 |
| Heavy Atoms | 24 |
| Complexity | 776.9217 |
Chemical Identifiers
| CAS Number | 868221-76-5 |
|---|---|
| SMILES | CCCSC1=NN=C(N1C2=CC=C(C=C2)Cl)CSC3=NC=CC=N3 |
Product Overview
F1806-0081 (CAS 868221-76-5), with molecular formula C16H16ClN5S2 and molecular weight 377.05 g/mol. IUPAC: 2-[[4-(4-chlorophenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine.
Chemical Property Profile of F1806-0081
Property Insights of F1806-0081
The XLogP value of 4.5051 indicates that F1806-0081 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.49 Ų, F1806-0081 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F1806-0081 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 F1806-0081?
The CAS number of F1806-0081 is 868221-76-5.
What is the molecular formula of F1806-0081?
The molecular formula of F1806-0081 is C16H16ClN5S2.
What is the molecular weight of F1806-0081?
The molecular weight of F1806-0081 is 377.05 g/mol.
Where can I buy F1806-0081?
You can request a quote for F1806-0081 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1806-0081?
Yes, KEHONG BIO provides custom synthesis services for F1806-0081 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.