1-(4-Nitrophenyl)azocane
TL;DR: 1-(4-Nitrophenyl)azocane (CAS 500014-92-6) 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-(4-nitrophenyl)azocane
Also Known As: 1-(4-nitrophenyl)azocane, Maybridge1_008980, MixCom3_000056, Azocine, octahydro-1-(4-nitrophenyl)-, 3-bromo-N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxamide
| Molecular Formula | C13H18N2O2 |
|---|---|
| Molecular Weight | 234.14 g/mol |
| LogP | 3.3653 |
| Topological Polar Surface Area | 46.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.13683 |
| Heavy Atoms | 17 |
| Complexity | 367.51077 |
Chemical Identifiers
| CAS Number | 500014-92-6 |
|---|---|
| SMILES | C1CCCN(CCC1)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
1-(4-Nitrophenyl)azocane (CAS 500014-92-6), with molecular formula C13H18N2O2 and molecular weight 234.14 g/mol. IUPAC: 1-(4-nitrophenyl)azocane.
Chemical Property Profile of 1-(4-Nitrophenyl)azocane
Property Insights of 1-(4-Nitrophenyl)azocane
The XLogP value of 3.3653 indicates that 1-(4-Nitrophenyl)azocane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.38 Ų, 1-(4-Nitrophenyl)azocane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Nitrophenyl)azocane 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-(4-Nitrophenyl)azocane?
The CAS number of 1-(4-Nitrophenyl)azocane is 500014-92-6.
What is the molecular formula of 1-(4-Nitrophenyl)azocane?
The molecular formula of 1-(4-Nitrophenyl)azocane is C13H18N2O2.
What is the molecular weight of 1-(4-Nitrophenyl)azocane?
The molecular weight of 1-(4-Nitrophenyl)azocane is 234.14 g/mol.
Where can I buy 1-(4-Nitrophenyl)azocane?
You can request a quote for 1-(4-Nitrophenyl)azocane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Nitrophenyl)azocane?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Nitrophenyl)azocane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.