![1-[1-(2-Fluorobenzoyl)-4-piperidinyl]azepane structure](/static/products/4319/431910-77-9.webp)
1-[1-(2-Fluorobenzoyl)-4-piperidinyl]azepane
TL;DR: 1-[1-(2-Fluorobenzoyl)-4-piperidinyl]azepane (CAS 431910-77-9) is a chemical compound with molecular formula C18H25FN2O and molecular weight 304.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(azepan-1-yl)piperidin-1-yl]-(2-fluorophenyl)methanone
Also Known As: 1-[1-(2-fluorobenzoyl)-4-piperidinyl]azepane, 1-[1-(2-fluorobenzoyl)piperidin-4-yl]azepane, [4-(azepan-1-yl)piperidin-1-yl]-(2-fluorophenyl)methanone, 4-azaperhydroepinylpiperidyl 2-fluorophenyl ketone, AN-153/43309792
| Molecular Formula | C18H25FN2O |
|---|---|
| Molecular Weight | 304.20 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 304.1951 |
| Heavy Atoms | 22 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 431910-77-9 |
|---|---|
| SMILES | C1CCCN(CC1)C2CCN(CC2)C(=O)C3=CC=CC=C3F |
| InChIKey | BFXZXEODMDYYIY-UHFFFAOYSA-N |
Product Overview
1-[1-(2-Fluorobenzoyl)-4-piperidinyl]azepane (CAS 431910-77-9), with molecular formula C18H25FN2O and molecular weight 304.20 g/mol. IUPAC: [4-(azepan-1-yl)piperidin-1-yl]-(2-fluorophenyl)methanone.
Chemical Property Profile of 1-[1-(2-Fluorobenzoyl)-4-piperidinyl]azepane
Property Insights of 1-[1-(2-Fluorobenzoyl)-4-piperidinyl]azepane
The XLogP value of 3.3 indicates that 1-[1-(2-Fluorobenzoyl)-4-piperidinyl]azepane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.6 Ų, 1-[1-(2-Fluorobenzoyl)-4-piperidinyl]azepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[1-(2-Fluorobenzoyl)-4-piperidinyl]azepane has 0 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 1-[1-(2-Fluorobenzoyl)-4-piperidinyl]azepane?
The CAS number of 1-[1-(2-Fluorobenzoyl)-4-piperidinyl]azepane is 431910-77-9.
What is the molecular formula of 1-[1-(2-Fluorobenzoyl)-4-piperidinyl]azepane?
The molecular formula of 1-[1-(2-Fluorobenzoyl)-4-piperidinyl]azepane is C18H25FN2O.
What is the molecular weight of 1-[1-(2-Fluorobenzoyl)-4-piperidinyl]azepane?
The molecular weight of 1-[1-(2-Fluorobenzoyl)-4-piperidinyl]azepane is 304.20 g/mol.
Where can I buy 1-[1-(2-Fluorobenzoyl)-4-piperidinyl]azepane?
You can request a quote for 1-[1-(2-Fluorobenzoyl)-4-piperidinyl]azepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[1-(2-Fluorobenzoyl)-4-piperidinyl]azepane?
Yes, KEHONG BIO provides custom synthesis services for 1-[1-(2-Fluorobenzoyl)-4-piperidinyl]azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.