F1806-0042
TL;DR: F1806-0042 (CAS 868221-39-0) is a chemical compound with molecular formula C17H19N5OS2 and molecular weight 373.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-methoxyphenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine
Also Known As: F1806-0042, 2-(((4-(4-methoxyphenyl)-5-(propylthio)-4H-1,2,4-triazol-3-yl)methyl)thio)pyrimidine, 2-[[4-(4-methoxyphenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine, 2-({[4-(4-methoxyphenyl)-5-(propylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}sulfanyl)pyrimidine
| Molecular Formula | C17H19N5OS2 |
|---|---|
| Molecular Weight | 373.10 g/mol |
| LogP | 3.8603 |
| Topological Polar Surface Area | 65.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 373.1031 |
| Heavy Atoms | 25 |
| Complexity | 792.55774 |
Chemical Identifiers
| CAS Number | 868221-39-0 |
|---|---|
| SMILES | CCCSC1=NN=C(N1C2=CC=C(C=C2)OC)CSC3=NC=CC=N3 |
Product Overview
F1806-0042 (CAS 868221-39-0), with molecular formula C17H19N5OS2 and molecular weight 373.10 g/mol. IUPAC: 2-[[4-(4-methoxyphenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine.
Chemical Property Profile of F1806-0042
Property Insights of F1806-0042
The XLogP value of 3.8603 indicates that F1806-0042 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.72 Ų falls within the moderate polarity range, balancing permeability and solubility for F1806-0042. Following Lipinski's Rule of Five, F1806-0042 has 0 hydrogen bond donor(s) and 7 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 F1806-0042?
The CAS number of F1806-0042 is 868221-39-0.
What is the molecular formula of F1806-0042?
The molecular formula of F1806-0042 is C17H19N5OS2.
What is the molecular weight of F1806-0042?
The molecular weight of F1806-0042 is 373.10 g/mol.
Where can I buy F1806-0042?
You can request a quote for F1806-0042 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1806-0042?
Yes, KEHONG BIO provides custom synthesis services for F1806-0042 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.