RefChem:331435
TL;DR: RefChem:331435 (CAS 101221-64-1) is a chemical compound with molecular formula C24H35ClFNO and molecular weight 407.23914 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-fluorophenyl)-4-spiro[2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene-7,4'-piperidin-1-ium]-1'-ylbutan-1-one chloride
Also Known As: 4'-Fluoro-4-(octahydrospiro(naphthalene-2(1H),4'-piperidin)-1'-yl)-butyrophenone HCl, Butyrophenone, 4'-fluoro-4-(octahydrospiro(naphthalene-2(1H),4'-piperidin)-1'-yl)-, hydrochloride, 1-(4-fluorophenyl)-4-spiro[2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene-7,4'-piperidin-1-ium]-1'-ylbutan-1-one chloride, 1'-[4-(4-fluorophenyl)-4-oxobutyl]octahydro-1h-spiro[naphthalene-2,4'-piperidinium] chloride, BUTYROPHENONE, 4'-FLUORO-4-(OCTAHYDROSPIRO(NAPHTHALENE-2(1H),4'-PIPERIDIN)-1'-YL
Technical Specifications
| Molecular Formula | C24H35ClFNO |
| Molecular Weight | 407.23914 g/mol |
| XLogP | 1.45 |
| Topological Polar Surface Area (TPSA) | 21.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 407.23914 Da |
| Heavy Atoms | 28 |
| Complexity | 491.0 |
| SMILES | C1CCC2CC3(CCC2C1)CC[NH+](CC3)CCCC(=O)C4=CC=C(C=C4)F.[Cl-] |
| InChIKey | FUQRIADYBPINEO-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:331435
Property Insights of RefChem:331435
The XLogP value of 1.45 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:331435. With a topological polar surface area (TPSA) of 21.5 Ų, RefChem:331435 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:331435 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:331435?
The CAS number of RefChem:331435 is 101221-64-1.
What is the molecular formula of RefChem:331435?
The molecular formula of RefChem:331435 is C24H35ClFNO.
What is the molecular weight of RefChem:331435?
The molecular weight of RefChem:331435 is 407.23914 g/mol.
Where can I buy RefChem:331435?
You can request a quote for RefChem:331435 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:331435?
Yes, CoreyChem provides custom synthesis services for RefChem:331435 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.