4-(Azepan-1-yl)-1-(4-fluorophenyl)butan-1-one--hydrogen chloride (1/1)
TL;DR: 4-(Azepan-1-yl)-1-(4-fluorophenyl)butan-1-one--hydrogen chloride (1/1) (CAS 59921-82-3) is a chemical compound with molecular formula C16H23ClFNO and molecular weight 299.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(azepan-1-ium-1-yl)-1-(4-fluorophenyl)butan-1-one chloride
Also Known As: Butyrophenone, 4'-fluoro-4-(2,3,4,5,6,7-hexahydro-1H-azepin-1-yl)-, hydrochloride, 4'-Fluoro-4-(2,3,4,5,6,7-hexahydro-1H-azepin-1-yl)butyrophenone hydrochloride, 4-(azepan-1-ium-1-yl)-1-(4-fluorophenyl)butan-1-one chloride, 4-(Azepan-1-yl)-1-(4-fluorophenyl)butan-1-one--hydrogen chloride (1/1), RefChem:1070029
| Molecular Formula | C16H23ClFNO |
|---|---|
| Molecular Weight | 299.15 g/mol |
| LogP | -0.75 |
| Topological Polar Surface Area | 21.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 299.14523 |
| Heavy Atoms | 20 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 59921-82-3 |
|---|---|
| SMILES | C1CCC[NH+](CC1)CCCC(=O)C2=CC=C(C=C2)F.[Cl-] |
| InChIKey | BBGMTQYQGXYFAE-UHFFFAOYSA-N |
Product Overview
4-(Azepan-1-yl)-1-(4-fluorophenyl)butan-1-one--hydrogen chloride (1/1) (CAS 59921-82-3), with molecular formula C16H23ClFNO and molecular weight 299.15 g/mol. IUPAC: 4-(azepan-1-ium-1-yl)-1-(4-fluorophenyl)butan-1-one chloride.
Chemical Property Profile of 4-(Azepan-1-yl)-1-(4-fluorophenyl)butan-1-one--hydrogen chloride (1/1)
Property Insights of 4-(Azepan-1-yl)-1-(4-fluorophenyl)butan-1-one--hydrogen chloride (1/1)
The XLogP value of -0.75 indicates that 4-(Azepan-1-yl)-1-(4-fluorophenyl)butan-1-one--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 21.5 Ų, 4-(Azepan-1-yl)-1-(4-fluorophenyl)butan-1-one--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Azepan-1-yl)-1-(4-fluorophenyl)butan-1-one--hydrogen chloride (1/1) 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
Frequently Asked Questions
What is the CAS number of 4-(Azepan-1-yl)-1-(4-fluorophenyl)butan-1-one--hydrogen chloride (1/1)?
The CAS number of 4-(Azepan-1-yl)-1-(4-fluorophenyl)butan-1-one--hydrogen chloride (1/1) is 59921-82-3.
What is the molecular formula of 4-(Azepan-1-yl)-1-(4-fluorophenyl)butan-1-one--hydrogen chloride (1/1)?
The molecular formula of 4-(Azepan-1-yl)-1-(4-fluorophenyl)butan-1-one--hydrogen chloride (1/1) is C16H23ClFNO.
What is the molecular weight of 4-(Azepan-1-yl)-1-(4-fluorophenyl)butan-1-one--hydrogen chloride (1/1)?
The molecular weight of 4-(Azepan-1-yl)-1-(4-fluorophenyl)butan-1-one--hydrogen chloride (1/1) is 299.15 g/mol.
Where can I buy 4-(Azepan-1-yl)-1-(4-fluorophenyl)butan-1-one--hydrogen chloride (1/1)?
You can request a quote for 4-(Azepan-1-yl)-1-(4-fluorophenyl)butan-1-one--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Azepan-1-yl)-1-(4-fluorophenyl)butan-1-one--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 4-(Azepan-1-yl)-1-(4-fluorophenyl)butan-1-one--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.