Azepan-1-yl-(3-methyl-4-nitrophenyl)methanone
TL;DR: Azepan-1-yl-(3-methyl-4-nitrophenyl)methanone (CAS 333350-36-0) is a chemical compound with molecular formula C14H18N2O3 and molecular weight 262.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azepan-1-yl-(3-methyl-4-nitrophenyl)methanone
Also Known As: 1-(3-methyl-4-nitrobenzoyl)azepane, azepan-1-yl-(3-methyl-4-nitrophenyl)methanone, azepan-1-yl(3-methyl-4-nitrophenyl)methanone, azaperhydroepinyl 3-methyl-4-nitrophenyl ketone, 1-AZEPANYL(3-METHYL-4-NITROPHENYL)METHANONE
| Molecular Formula | C14H18N2O3 |
|---|---|
| Molecular Weight | 262.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 262.13174 |
| Heavy Atoms | 19 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 333350-36-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)N2CCCCCC2)[N+](=O)[O-] |
| InChIKey | MDQCEUIROVTCRL-UHFFFAOYSA-N |
Product Overview
Azepan-1-yl-(3-methyl-4-nitrophenyl)methanone (CAS 333350-36-0), with molecular formula C14H18N2O3 and molecular weight 262.13 g/mol. IUPAC: azepan-1-yl-(3-methyl-4-nitrophenyl)methanone.
Chemical Property Profile of Azepan-1-yl-(3-methyl-4-nitrophenyl)methanone
Property Insights of Azepan-1-yl-(3-methyl-4-nitrophenyl)methanone
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Azepan-1-yl-(3-methyl-4-nitrophenyl)methanone. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Azepan-1-yl-(3-methyl-4-nitrophenyl)methanone. Following Lipinski's Rule of Five, Azepan-1-yl-(3-methyl-4-nitrophenyl)methanone has 0 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 Azepan-1-yl-(3-methyl-4-nitrophenyl)methanone?
The CAS number of Azepan-1-yl-(3-methyl-4-nitrophenyl)methanone is 333350-36-0.
What is the molecular formula of Azepan-1-yl-(3-methyl-4-nitrophenyl)methanone?
The molecular formula of Azepan-1-yl-(3-methyl-4-nitrophenyl)methanone is C14H18N2O3.
What is the molecular weight of Azepan-1-yl-(3-methyl-4-nitrophenyl)methanone?
The molecular weight of Azepan-1-yl-(3-methyl-4-nitrophenyl)methanone is 262.13 g/mol.
Where can I buy Azepan-1-yl-(3-methyl-4-nitrophenyl)methanone?
You can request a quote for Azepan-1-yl-(3-methyl-4-nitrophenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Azepan-1-yl-(3-methyl-4-nitrophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for Azepan-1-yl-(3-methyl-4-nitrophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.