1-(4-Fluorophenyl)-4-(1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)butan-1-one
TL;DR: 1-(4-Fluorophenyl)-4-(1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)butan-1-one (CAS 15997-70-3) is a chemical compound with molecular formula C18H22FNO and molecular weight 287.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-1-(4-fluorophenyl)butan-1-one
Also Known As: p-Fluoro-4-(3a,4,7,7a-tetrahydroisoindolinyl)butyrophenone hydrochloride, BUTYROPHENONE, 4'-FLUORO-4-(3a,4,7,7a-TETRAHYDROISOINDOL-2-YL)-, HYDROCHLORIDE, 1-(4-Fluorophenyl)-4-(1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)butan-1-one, 4-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-1-(4-fluorophenyl)butan-1-one, RefChem:1054384
| Molecular Formula | C18H22FNO |
|---|---|
| Molecular Weight | 287.17 g/mol |
| LogP | 3.6866 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 287.16855 |
| Heavy Atoms | 21 |
| Complexity | 506.52478 |
Chemical Identifiers
| CAS Number | 15997-70-3 |
|---|---|
| SMILES | C1C=CCC2C1CN(C2)CCCC(=O)C3=CC=C(C=C3)F |
Product Overview
1-(4-Fluorophenyl)-4-(1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)butan-1-one (CAS 15997-70-3), with molecular formula C18H22FNO and molecular weight 287.17 g/mol. IUPAC: 4-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-1-(4-fluorophenyl)butan-1-one.
Chemical Property Profile of 1-(4-Fluorophenyl)-4-(1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)butan-1-one
Property Insights of 1-(4-Fluorophenyl)-4-(1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)butan-1-one
The XLogP value of 3.6866 indicates that 1-(4-Fluorophenyl)-4-(1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)butan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, 1-(4-Fluorophenyl)-4-(1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)butan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Fluorophenyl)-4-(1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)butan-1-one has 0 hydrogen bond donor(s) and 2 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-(4-Fluorophenyl)-4-(1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)butan-1-one?
The CAS number of 1-(4-Fluorophenyl)-4-(1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)butan-1-one is 15997-70-3.
What is the molecular formula of 1-(4-Fluorophenyl)-4-(1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)butan-1-one?
The molecular formula of 1-(4-Fluorophenyl)-4-(1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)butan-1-one is C18H22FNO.
What is the molecular weight of 1-(4-Fluorophenyl)-4-(1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)butan-1-one?
The molecular weight of 1-(4-Fluorophenyl)-4-(1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)butan-1-one is 287.17 g/mol.
Where can I buy 1-(4-Fluorophenyl)-4-(1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)butan-1-one?
You can request a quote for 1-(4-Fluorophenyl)-4-(1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)butan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Fluorophenyl)-4-(1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)butan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Fluorophenyl)-4-(1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)butan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.