Befiradol
TL;DR: Befiradol (CAS 208110-64-9) is a chemical compound with molecular formula C20H22ClF2N3O and molecular weight 393.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-4-fluorophenyl)-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
Also Known As: Befiradol, befiradolum, Befiradol [INN], Befiradol (free base), NLX-112 hydrochloride
| Molecular Formula | C20H22ClF2N3O |
|---|---|
| Molecular Weight | 393.14 g/mol |
| LogP | 3.91662 |
| Topological Polar Surface Area | 45.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.14194 |
| Heavy Atoms | 27 |
| Complexity | 805.37415 |
Chemical Identifiers
| CAS Number | 208110-64-9 |
|---|---|
| SMILES | CC1=CN=C(C=C1)CNCC2(CCN(CC2)C(=O)C3=CC(=C(C=C3)F)Cl)F |
Product Overview
Befiradol (CAS 208110-64-9), with molecular formula C20H22ClF2N3O and molecular weight 393.14 g/mol. IUPAC: (3-chloro-4-fluorophenyl)-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone.
Chemical Property Profile of Befiradol
Property Insights of Befiradol
The XLogP value of 3.91662 indicates that Befiradol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.23 Ų, Befiradol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Befiradol has 1 hydrogen bond donor(s) and 3 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 Befiradol?
The CAS number of Befiradol is 208110-64-9.
What is the molecular formula of Befiradol?
The molecular formula of Befiradol is C20H22ClF2N3O.
What is the molecular weight of Befiradol?
The molecular weight of Befiradol is 393.14 g/mol.
Where can I buy Befiradol?
You can request a quote for Befiradol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Befiradol?
Yes, KEHONG BIO provides custom synthesis services for Befiradol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.