RefChem:331419
TL;DR: RefChem:331419 (CAS 54996-00-8) is a chemical compound with molecular formula C22H23ClFNO2 and molecular weight 387.14014 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-fluorophenyl)-4-(4-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-2-ium-2-yl)butan-1-one chloride
Also Known As: 4'-Fluoro-4-(4-methyl-1,2,3,4-tetrahydrobenzofuro(3,2-c)pyridin-2-yl)butyrophenone HCl, Butyrophenone, 4'-fluoro-4-(4-methyl-1,2,3,4-tetrahydrobenzofuro(3,2-c)pyridin-2-yl)-, hydrochloride, 1-(4-fluorophenyl)-4-(4-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-2-ium-2-yl)butan-1-one chloride, BUTYROPHENONE, 4'-FLUORO-4-(4-METHYL-1,2,3,4-TETRAHYDROBENZOFURO(3,2-c)PYRIDIN-2
Technical Specifications
| Molecular Formula | C22H23ClFNO2 |
| Molecular Weight | 387.14014 g/mol |
| XLogP | 0.74 |
| Topological Polar Surface Area (TPSA) | 34.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.14014 Da |
| Heavy Atoms | 27 |
| Complexity | 491.0 |
| SMILES | CC1C[NH+](CC2=C1OC3=CC=CC=C23)CCCC(=O)C4=CC=C(C=C4)F.[Cl-] |
| InChIKey | OHZLHKNCSNWMDL-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:331419
Property Insights of RefChem:331419
The XLogP value of 0.74 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:331419. With a topological polar surface area (TPSA) of 34.7 Ų, RefChem:331419 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:331419 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
What is the CAS number of RefChem:331419?
The CAS number of RefChem:331419 is 54996-00-8.
What is the molecular formula of RefChem:331419?
The molecular formula of RefChem:331419 is C22H23ClFNO2.
What is the molecular weight of RefChem:331419?
The molecular weight of RefChem:331419 is 387.14014 g/mol.
Where can I buy RefChem:331419?
You can request a quote for RefChem:331419 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:331419?
Yes, CoreyChem provides custom synthesis services for RefChem:331419 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.