F1806-0057
TL;DR: F1806-0057 (CAS 868221-53-8) is a chemical compound with molecular formula C19H23N5OS2 and molecular weight 401.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-butylsulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine
Also Known As: F1806-0057, 2-({[5-(butylsulfanyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}sulfanyl)pyrimidine, 2-(((5-(butylthio)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)thio)pyrimidine, 2-[[5-butylsulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine
| Molecular Formula | C19H23N5OS2 |
|---|---|
| Molecular Weight | 401.13 g/mol |
| LogP | 4.6405 |
| Topological Polar Surface Area | 65.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 401.1344 |
| Heavy Atoms | 27 |
| Complexity | 823.8762 |
Chemical Identifiers
| CAS Number | 868221-53-8 |
|---|---|
| SMILES | CCCCSC1=NN=C(N1C2=CC=C(C=C2)OCC)CSC3=NC=CC=N3 |
Product Overview
F1806-0057 (CAS 868221-53-8), with molecular formula C19H23N5OS2 and molecular weight 401.13 g/mol. IUPAC: 2-[[5-butylsulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine.
Chemical Property Profile of F1806-0057
Property Insights of F1806-0057
The XLogP value of 4.6405 indicates that F1806-0057 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 F1806-0057. Following Lipinski's Rule of Five, F1806-0057 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 F1806-0057?
The CAS number of F1806-0057 is 868221-53-8.
What is the molecular formula of F1806-0057?
The molecular formula of F1806-0057 is C19H23N5OS2.
What is the molecular weight of F1806-0057?
The molecular weight of F1806-0057 is 401.13 g/mol.
Where can I buy F1806-0057?
You can request a quote for F1806-0057 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1806-0057?
Yes, KEHONG BIO provides custom synthesis services for F1806-0057 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.