E-5842 free base
TL;DR: E-5842 free base (CAS 359875-09-5) is a chemical compound with molecular formula C17H21FN4 and molecular weight 300.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-fluorophenyl)-1-[4-(1,2,4-triazol-1-yl)butyl]-3,6-dihydro-2H-pyridine
Also Known As: E-5842 free base, E-5842, J1.036.593G, Pyridine, 4-(4-fluorophenyl)-1,2,3,6-tetrahydro-1-(4-(1H-1,2,4-triazol-1-yl)butyl)-, 4-(4-Fluorophenyl)-1,2,3,6-tetrahydro-1-(4-(1H-1,2,4-triazol-1-yl)butyl)pyridine
| Molecular Formula | C17H21FN4 |
|---|---|
| Molecular Weight | 300.18 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 34.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 300.17502 |
| Heavy Atoms | 22 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 359875-09-5 |
|---|---|
| SMILES | C1CN(CC=C1C2=CC=C(C=C2)F)CCCCN3C=NC=N3 |
| InChIKey | SBVRDBPUULCCRA-UHFFFAOYSA-N |
Product Overview
E-5842 free base (CAS 359875-09-5), with molecular formula C17H21FN4 and molecular weight 300.18 g/mol. IUPAC: 4-(4-fluorophenyl)-1-[4-(1,2,4-triazol-1-yl)butyl]-3,6-dihydro-2H-pyridine.
Chemical Property Profile of E-5842 free base
Property Insights of E-5842 free base
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for E-5842 free base. With a topological polar surface area (TPSA) of 34.0 Ų, E-5842 free base exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, E-5842 free base has 0 hydrogen bond donor(s) and 4 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 E-5842 free base?
The CAS number of E-5842 free base is 359875-09-5.
What is the molecular formula of E-5842 free base?
The molecular formula of E-5842 free base is C17H21FN4.
What is the molecular weight of E-5842 free base?
The molecular weight of E-5842 free base is 300.18 g/mol.
Where can I buy E-5842 free base?
You can request a quote for E-5842 free base directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for E-5842 free base?
Yes, KEHONG BIO provides custom synthesis services for E-5842 free base and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.