RefChem:1058110
TL;DR: RefChem:1058110 (CAS 65201-45-8) is a chemical compound with molecular formula C21H21FN2O2 and molecular weight 352.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluoro-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methylidene]-3H-inden-1-one
Also Known As: 5-23-02-00225 (Beilstein Handbook Reference), 1H-Inden-1-one, 2,3-dihydro-4-fluoro-2-((4-(4-methoxyphenyl)-1-piperazinyl)methylene)-, 2,3-Dihydro-4-fluoro-2-((4-(4-methoxyphenyl)-1-piperazinyl)methylene)-1H-inden-1-one, 4-fluoro-2-{[4-(4-methoxyphenyl)piperazin-1-yl]methylene}indan-1-one, 4-fluoro-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methylidene]-3H-inden-1-one
| Molecular Formula | C21H21FN2O2 |
|---|---|
| Molecular Weight | 352.16 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.1587 |
| Heavy Atoms | 26 |
| Complexity | 536.0 |
Chemical Identifiers
| CAS Number | 65201-45-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2CCN(CC2)C=C3CC4=C(C3=O)C=CC=C4F |
| InChIKey | AAHGUNLOJNUIAD-UHFFFAOYSA-N |
Product Overview
RefChem:1058110 (CAS 65201-45-8), with molecular formula C21H21FN2O2 and molecular weight 352.16 g/mol. IUPAC: 4-fluoro-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methylidene]-3H-inden-1-one.
Chemical Property Profile of RefChem:1058110
Property Insights of RefChem:1058110
The XLogP value of 3.7 indicates that RefChem:1058110 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.8 Ų, RefChem:1058110 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1058110 has 0 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:1058110?
The CAS number of RefChem:1058110 is 65201-45-8.
What is the molecular formula of RefChem:1058110?
The molecular formula of RefChem:1058110 is C21H21FN2O2.
What is the molecular weight of RefChem:1058110?
The molecular weight of RefChem:1058110 is 352.16 g/mol.
Where can I buy RefChem:1058110?
You can request a quote for RefChem:1058110 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058110?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058110 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.