RefChem:331425
TL;DR: RefChem:331425 (CAS 73962-18-2) is a chemical compound with molecular formula C23H27ClFNO3 and molecular weight 419.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-4-(7-methoxyspiro[2H-1-benzofuran-3,4'-piperidin-1-ium]-1'-yl)butan-1-one chloride
Also Known As: Butyrophenone, 4'-fluoro-4-(7-methoxyspiro(benzofuran-3(2H),4'-piperidin)-1'-yl)-, hydrochloride, 1-(4-fluorophenyl)-4-(7-methoxyspiro[2H-1-benzofuran-3,4'-piperidin-1-ium]-1'-yl)butan-1-one chloride, BUTYROPHENONE, 4'-FLUORO-4-(7-METHOXYSPIRO(BENZOFURAN-3(2H),4'-PIPERIDIN)-1'-YL), RefChem:331425
| Molecular Formula | C23H27ClFNO3 |
|---|---|
| Molecular Weight | 419.17 g/mol |
| LogP | -0.19 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.16635 |
| Heavy Atoms | 29 |
| Complexity | 526.0 |
Chemical Identifiers
| CAS Number | 73962-18-2 |
|---|---|
| SMILES | COC1=CC=CC2=C1OCC23CC[NH+](CC3)CCCC(=O)C4=CC=C(C=C4)F.[Cl-] |
| InChIKey | IZXMDURZDSANLD-UHFFFAOYSA-N |
Product Overview
RefChem:331425 (CAS 73962-18-2), with molecular formula C23H27ClFNO3 and molecular weight 419.17 g/mol. IUPAC: 1-(4-fluorophenyl)-4-(7-methoxyspiro[2H-1-benzofuran-3,4'-piperidin-1-ium]-1'-yl)butan-1-one chloride.
Chemical Property Profile of RefChem:331425
Property Insights of RefChem:331425
The XLogP value of -0.19 indicates that RefChem:331425 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.0 Ų, RefChem:331425 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:331425 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 RefChem:331425?
The CAS number of RefChem:331425 is 73962-18-2.
What is the molecular formula of RefChem:331425?
The molecular formula of RefChem:331425 is C23H27ClFNO3.
What is the molecular weight of RefChem:331425?
The molecular weight of RefChem:331425 is 419.17 g/mol.
Where can I buy RefChem:331425?
You can request a quote for RefChem:331425 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331425?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331425 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.