1-Butanone, 4-(3,6-dihydro-4,5-dimethyl-2-phenyl-1(2H)-pyridinyl)-1-(4-fluorophenyl)-, hydrochloride
TL;DR: 1-Butanone, 4-(3,6-dihydro-4,5-dimethyl-2-phenyl-1(2H)-pyridinyl)-1-(4-fluorophenyl)-, hydrochloride (CAS 405238-84-8) is a chemical compound with molecular formula C23H27ClFNO and molecular weight 387.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4,5-dimethyl-2-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-(4-fluorophenyl)butan-1-one;hydrochloride
Also Known As: 1-Butanone, 4-(3,6-dihydro-4,5-dimethyl-2-phenyl-1(2H)-pyridinyl)-1-(4-fluorophenyl)-, hydrochloride, 4-(4,5-dimethyl-2-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-(4-fluorophenyl)butan-1-one Hydrochloride, 4-(4,5-dimethyl-2-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-(4-fluorophenyl)butan-1-one,hydrochloride, 4-(4,5-dimethyl-2-phenyl-3,6-dihydropyridin-1(2H)-yl)-1-(4-fluorophenyl)butan-1-one hydrochloride (1:1), 4-(4,5-Dimethyl-2-phenyl-3,6-dihydropyridin-1(2H)-yl)-1-(4-fluorophenyl)butan-1-one--hydrogen chloride (1/1)
| Molecular Formula | C23H27ClFNO |
|---|---|
| Molecular Weight | 387.18 g/mol |
| LogP | 5.9938 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.1765 |
| Heavy Atoms | 27 |
| Complexity | 500.0 |
Chemical Identifiers
| CAS Number | 405238-84-8 |
|---|---|
| SMILES | CC1=C(CN(C(C1)C2=CC=CC=C2)CCCC(=O)C3=CC=C(C=C3)F)C.Cl |
| InChIKey | MNCCCXBJVCHKGG-UHFFFAOYSA-N |
Product Overview
1-Butanone, 4-(3,6-dihydro-4,5-dimethyl-2-phenyl-1(2H)-pyridinyl)-1-(4-fluorophenyl)-, hydrochloride (CAS 405238-84-8), with molecular formula C23H27ClFNO and molecular weight 387.18 g/mol. IUPAC: 4-(4,5-dimethyl-2-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-(4-fluorophenyl)butan-1-one;hydrochloride.
Chemical Property Profile of 1-Butanone, 4-(3,6-dihydro-4,5-dimethyl-2-phenyl-1(2H)-pyridinyl)-1-(4-fluorophenyl)-, hydrochloride
Property Insights of 1-Butanone, 4-(3,6-dihydro-4,5-dimethyl-2-phenyl-1(2H)-pyridinyl)-1-(4-fluorophenyl)-, hydrochloride
The XLogP value of 5.9938 indicates that 1-Butanone, 4-(3,6-dihydro-4,5-dimethyl-2-phenyl-1(2H)-pyridinyl)-1-(4-fluorophenyl)-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, 1-Butanone, 4-(3,6-dihydro-4,5-dimethyl-2-phenyl-1(2H)-pyridinyl)-1-(4-fluorophenyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butanone, 4-(3,6-dihydro-4,5-dimethyl-2-phenyl-1(2H)-pyridinyl)-1-(4-fluorophenyl)-, hydrochloride has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Butanone, 4-(3,6-dihydro-4,5-dimethyl-2-phenyl-1(2H)-pyridinyl)-1-(4-fluorophenyl)-, hydrochloride?
The CAS number of 1-Butanone, 4-(3,6-dihydro-4,5-dimethyl-2-phenyl-1(2H)-pyridinyl)-1-(4-fluorophenyl)-, hydrochloride is 405238-84-8.
What is the molecular formula of 1-Butanone, 4-(3,6-dihydro-4,5-dimethyl-2-phenyl-1(2H)-pyridinyl)-1-(4-fluorophenyl)-, hydrochloride?
The molecular formula of 1-Butanone, 4-(3,6-dihydro-4,5-dimethyl-2-phenyl-1(2H)-pyridinyl)-1-(4-fluorophenyl)-, hydrochloride is C23H27ClFNO.
What is the molecular weight of 1-Butanone, 4-(3,6-dihydro-4,5-dimethyl-2-phenyl-1(2H)-pyridinyl)-1-(4-fluorophenyl)-, hydrochloride?
The molecular weight of 1-Butanone, 4-(3,6-dihydro-4,5-dimethyl-2-phenyl-1(2H)-pyridinyl)-1-(4-fluorophenyl)-, hydrochloride is 387.18 g/mol.
Where can I buy 1-Butanone, 4-(3,6-dihydro-4,5-dimethyl-2-phenyl-1(2H)-pyridinyl)-1-(4-fluorophenyl)-, hydrochloride?
You can request a quote for 1-Butanone, 4-(3,6-dihydro-4,5-dimethyl-2-phenyl-1(2H)-pyridinyl)-1-(4-fluorophenyl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butanone, 4-(3,6-dihydro-4,5-dimethyl-2-phenyl-1(2H)-pyridinyl)-1-(4-fluorophenyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Butanone, 4-(3,6-dihydro-4,5-dimethyl-2-phenyl-1(2H)-pyridinyl)-1-(4-fluorophenyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.