RefChem:316852
TL;DR: RefChem:316852 (CAS 97805-03-3) is a chemical compound with molecular formula C23H24ClFN2O and molecular weight 398.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-1-ium-4-ylidene]-2-phenylacetonitrile chloride
Also Known As: Acetonitrile, 2-(1-(3-(p-fluorobenzoyl)propyl)-4-piperidylidene)-2-phenyl-, hydrochloride, 1-(3-p-Fluorobenzoylpropyl)-alpha-phenyl-delta(sup 4),alpha-piperidine acetonitrile HCl, ACETONITRILE, 2-(1-(3-(p-FLUOROBENZOYL)PROPYL)-4-PIPERIDYLIDENE)-2-PHENYL-, HYDR, ACETONITRILE,2-(1-(3-(P-FLUOROBENZOYL)PROPYL)-PIPERIDIN-4-YLIDENE)-2-PHENYL- HCL, Acetonitrile,2-(1-(3-(p-fluorobenzoyl)propyl)-piperidin-4-ylidene)-2-phenyl-hcl
| Molecular Formula | C23H24ClFN2O |
|---|---|
| Molecular Weight | 398.16 g/mol |
| LogP | 0.45 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 398.15613 |
| Heavy Atoms | 28 |
| Complexity | 566.0 |
Chemical Identifiers
| CAS Number | 97805-03-3 |
|---|---|
| SMILES | C1C[NH+](CCC1=C(C#N)C2=CC=CC=C2)CCCC(=O)C3=CC=C(C=C3)F.[Cl-] |
| InChIKey | LHMDSBDHRXPARH-UHFFFAOYSA-N |
Product Overview
RefChem:316852 (CAS 97805-03-3), with molecular formula C23H24ClFN2O and molecular weight 398.16 g/mol. IUPAC: 2-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-1-ium-4-ylidene]-2-phenylacetonitrile chloride.
Chemical Property Profile of RefChem:316852
Property Insights of RefChem:316852
The XLogP value of 0.45 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:316852. With a topological polar surface area (TPSA) of 45.3 Ų, RefChem:316852 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:316852 has 1 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 RefChem:316852?
The CAS number of RefChem:316852 is 97805-03-3.
What is the molecular formula of RefChem:316852?
The molecular formula of RefChem:316852 is C23H24ClFN2O.
What is the molecular weight of RefChem:316852?
The molecular weight of RefChem:316852 is 398.16 g/mol.
Where can I buy RefChem:316852?
You can request a quote for RefChem:316852 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:316852?
Yes, KEHONG BIO provides custom synthesis services for RefChem:316852 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.