3-(Hexahydro-1H-azepin-1-yl)-1-(3-nitrophenyl)-1-propanone
TL;DR: 3-(Hexahydro-1H-azepin-1-yl)-1-(3-nitrophenyl)-1-propanone (CAS 3670-65-3) is a chemical compound with molecular formula C15H20N2O3 and molecular weight 276.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(azepan-1-yl)-1-(3-nitrophenyl)propan-1-one
Also Known As: Phenitrone, Phenitron, PHENITRONE FREE BASE, 3-(azepan-1-yl)-1-(3-nitrophenyl)propan-1-one, 1-Propanone, 3-(hexahydro-1H-azepin-1-yl)-1-(3-nitrophenyl)-
| Molecular Formula | C15H20N2O3 |
|---|---|
| Molecular Weight | 276.15 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.1474 |
| Heavy Atoms | 20 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 3670-65-3 |
|---|---|
| SMILES | C1CCCN(CC1)CCC(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | QNMJTXJJZVGMLU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Hexahydro-1H-azepin-1-yl)-1-(3-nitrophenyl)-1-propanone (CAS 3670-65-3), with molecular formula C15H20N2O3 and molecular weight 276.15 g/mol. IUPAC: 3-(azepan-1-yl)-1-(3-nitrophenyl)propan-1-one.
Chemical Property Profile of 3-(Hexahydro-1H-azepin-1-yl)-1-(3-nitrophenyl)-1-propanone
Property Insights of 3-(Hexahydro-1H-azepin-1-yl)-1-(3-nitrophenyl)-1-propanone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Hexahydro-1H-azepin-1-yl)-1-(3-nitrophenyl)-1-propanone. 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. Following Lipinski's Rule of Five, 3-(Hexahydro-1H-azepin-1-yl)-1-(3-nitrophenyl)-1-propanone has 0 hydrogen bond donor(s) and 4 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 3-(Hexahydro-1H-azepin-1-yl)-1-(3-nitrophenyl)-1-propanone?
The CAS number of 3-(Hexahydro-1H-azepin-1-yl)-1-(3-nitrophenyl)-1-propanone is 3670-65-3.
What is the molecular formula of 3-(Hexahydro-1H-azepin-1-yl)-1-(3-nitrophenyl)-1-propanone?
The molecular formula of 3-(Hexahydro-1H-azepin-1-yl)-1-(3-nitrophenyl)-1-propanone is C15H20N2O3.
What is the molecular weight of 3-(Hexahydro-1H-azepin-1-yl)-1-(3-nitrophenyl)-1-propanone?
The molecular weight of 3-(Hexahydro-1H-azepin-1-yl)-1-(3-nitrophenyl)-1-propanone is 276.15 g/mol.
Where can I buy 3-(Hexahydro-1H-azepin-1-yl)-1-(3-nitrophenyl)-1-propanone?
You can request a quote for 3-(Hexahydro-1H-azepin-1-yl)-1-(3-nitrophenyl)-1-propanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Hexahydro-1H-azepin-1-yl)-1-(3-nitrophenyl)-1-propanone?
Yes, KEHONG BIO provides custom synthesis services for 3-(Hexahydro-1H-azepin-1-yl)-1-(3-nitrophenyl)-1-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.