3-(Hexahydro-1H-azepin-1-yl)-1-(3-nitrophenyl)-1-propanone monohydrochloride
TL;DR: 3-(Hexahydro-1H-azepin-1-yl)-1-(3-nitrophenyl)-1-propanone monohydrochloride (CAS 13492-21-2) is a chemical compound with molecular formula C15H21ClN2O3 and molecular weight 312.12408 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(azepan-1-yl)-1-(3-nitrophenyl)propan-1-one;hydrochloride
Also Known As: Phenitrone, Phenitron, Phenytron, 3-(Hexahydro-1H-azepin-1-yl)-3'-nitropropiophenone hydrochloride, Propiophenone, 3-(hexahydro-1H-azepin-1-yl)-3'-nitro-, monohydrochloride
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H21ClN2O3 |
| Molecular Weight | 312.12408 g/mol |
| XLogP | 3.4654 |
| Topological Polar Surface Area (TPSA) | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.12408 Da |
| Heavy Atoms | 21 |
| Complexity | 333.0 |
| SMILES | C1CCCN(CC1)CCC(=O)C2=CC(=CC=C2)[N+](=O)[O-].Cl |
| InChIKey | GZSMZOZGZVJTLF-UHFFFAOYSA-N |
Chemical Property Profile of 3-(Hexahydro-1H-azepin-1-yl)-1-(3-nitrophenyl)-1-propanone monohydrochloride
Property Insights of 3-(Hexahydro-1H-azepin-1-yl)-1-(3-nitrophenyl)-1-propanone monohydrochloride
The XLogP value of 3.4654 indicates that 3-(Hexahydro-1H-azepin-1-yl)-1-(3-nitrophenyl)-1-propanone monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Hexahydro-1H-azepin-1-yl)-1-(3-nitrophenyl)-1-propanone monohydrochloride. Following Lipinski's Rule of Five, 3-(Hexahydro-1H-azepin-1-yl)-1-(3-nitrophenyl)-1-propanone monohydrochloride 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 3-(Hexahydro-1H-azepin-1-yl)-1-(3-nitrophenyl)-1-propanone monohydrochloride?
The CAS number of 3-(Hexahydro-1H-azepin-1-yl)-1-(3-nitrophenyl)-1-propanone monohydrochloride is 13492-21-2.
What is the molecular formula of 3-(Hexahydro-1H-azepin-1-yl)-1-(3-nitrophenyl)-1-propanone monohydrochloride?
The molecular formula of 3-(Hexahydro-1H-azepin-1-yl)-1-(3-nitrophenyl)-1-propanone monohydrochloride is C15H21ClN2O3.
What is the molecular weight of 3-(Hexahydro-1H-azepin-1-yl)-1-(3-nitrophenyl)-1-propanone monohydrochloride?
The molecular weight of 3-(Hexahydro-1H-azepin-1-yl)-1-(3-nitrophenyl)-1-propanone monohydrochloride is 312.12408 g/mol.
Where can I buy 3-(Hexahydro-1H-azepin-1-yl)-1-(3-nitrophenyl)-1-propanone monohydrochloride?
You can request a quote for 3-(Hexahydro-1H-azepin-1-yl)-1-(3-nitrophenyl)-1-propanone monohydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(Hexahydro-1H-azepin-1-yl)-1-(3-nitrophenyl)-1-propanone monohydrochloride?
Yes, CoreyChem provides custom synthesis services for 3-(Hexahydro-1H-azepin-1-yl)-1-(3-nitrophenyl)-1-propanone monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.