Neflumozide
TL;DR: Neflumozide (CAS 86636-93-3) is a chemical compound with molecular formula C22H23FN4O2 and molecular weight 394.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
Also Known As: NEFLUMOZIDE, Neflumozide [INN], Neflumozida, NEFLUMOZIDE HYDROCHLORIDE, P-793913
| Molecular Formula | C22H23FN4O2 |
|---|---|
| Molecular Weight | 394.18 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.1805 |
| Heavy Atoms | 29 |
| Complexity | 585.0 |
Chemical Identifiers
| CAS Number | 86636-93-3 |
|---|---|
| SMILES | C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCCC4=NOC5=C4C=CC(=C5)F |
| InChIKey | VEUGOXRZHKYDED-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Neflumozide (CAS 86636-93-3), with molecular formula C22H23FN4O2 and molecular weight 394.18 g/mol. IUPAC: 3-[1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one.
Chemical Property Profile of Neflumozide
Property Insights of Neflumozide
The XLogP value of 3.6 indicates that Neflumozide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Neflumozide. Following Lipinski's Rule of Five, Neflumozide has 1 hydrogen bond donor(s) and 5 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 Neflumozide?
The CAS number of Neflumozide is 86636-93-3.
What is the molecular formula of Neflumozide?
The molecular formula of Neflumozide is C22H23FN4O2.
What is the molecular weight of Neflumozide?
The molecular weight of Neflumozide is 394.18 g/mol.
Where can I buy Neflumozide?
You can request a quote for Neflumozide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neflumozide?
Yes, KEHONG BIO provides custom synthesis services for Neflumozide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.