![1-[(3-Nitrophenyl)methyl]azepane structure](/static/products/4148/414880-13-0.webp)
1-[(3-Nitrophenyl)methyl]azepane
TL;DR: 1-[(3-Nitrophenyl)methyl]azepane (CAS 414880-13-0) is a chemical compound with molecular formula C13H18N2O2 and molecular weight 234.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3-nitrophenyl)methyl]azepane
Also Known As: 1-(3-nitrobenzyl)azepane, 1-[(3-nitrophenyl)methyl]azepane, 1-(3-Nitro-benzyl)-azepane, Cambridge id 5262193
| Molecular Formula | C13H18N2O2 |
|---|---|
| Molecular Weight | 234.14 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.13683 |
| Heavy Atoms | 17 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 414880-13-0 |
|---|---|
| SMILES | C1CCCN(CC1)CC2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | UZUKQVQCBQYHIT-UHFFFAOYSA-N |
Product Overview
1-[(3-Nitrophenyl)methyl]azepane (CAS 414880-13-0), with molecular formula C13H18N2O2 and molecular weight 234.14 g/mol. IUPAC: 1-[(3-nitrophenyl)methyl]azepane.
Chemical Property Profile of 1-[(3-Nitrophenyl)methyl]azepane
Property Insights of 1-[(3-Nitrophenyl)methyl]azepane
The XLogP value of 3.1 indicates that 1-[(3-Nitrophenyl)methyl]azepane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.1 Ų, 1-[(3-Nitrophenyl)methyl]azepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(3-Nitrophenyl)methyl]azepane 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 1-[(3-Nitrophenyl)methyl]azepane?
The CAS number of 1-[(3-Nitrophenyl)methyl]azepane is 414880-13-0.
What is the molecular formula of 1-[(3-Nitrophenyl)methyl]azepane?
The molecular formula of 1-[(3-Nitrophenyl)methyl]azepane is C13H18N2O2.
What is the molecular weight of 1-[(3-Nitrophenyl)methyl]azepane?
The molecular weight of 1-[(3-Nitrophenyl)methyl]azepane is 234.14 g/mol.
Where can I buy 1-[(3-Nitrophenyl)methyl]azepane?
You can request a quote for 1-[(3-Nitrophenyl)methyl]azepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(3-Nitrophenyl)methyl]azepane?
Yes, KEHONG BIO provides custom synthesis services for 1-[(3-Nitrophenyl)methyl]azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.