1-(1-Chloropropan-2-yl)-2-methylazepane;2,4,6-trinitrophenol
TL;DR: 1-(1-Chloropropan-2-yl)-2-methylazepane;2,4,6-trinitrophenol (CAS 7468-70-4) is a chemical compound with molecular formula C16H23ClN4O7 and molecular weight 418.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-chloropropan-2-yl)-2-methylazepane;2,4,6-trinitrophenol
Also Known As: 1-(1-chloropropan-2-yl)-2-methylazepane,2,4,6-trinitrophenol, 1-(1-Chloropropan-2-yl)-2-methylazepane;2,4,6-trinitrophenol, 1-(1-chloropropan-2-yl)-2-methylazepane; 2,4,6-trinitrophenol, 2,4,6-Trinitrophenol--1-(1-chloropropan-2-yl)-2-methylazepane (1/1)
| Molecular Formula | C16H23ClN4O7 |
|---|---|
| Molecular Weight | 418.13 g/mol |
| LogP | 3.995 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 418.12552 |
| Heavy Atoms | 28 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 7468-70-4 |
|---|---|
| SMILES | CC1CCCCCN1C(C)CCl.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | AUZWJGWUAROCOZ-UHFFFAOYSA-N |
Product Overview
1-(1-Chloropropan-2-yl)-2-methylazepane;2,4,6-trinitrophenol (CAS 7468-70-4), with molecular formula C16H23ClN4O7 and molecular weight 418.13 g/mol. IUPAC: 1-(1-chloropropan-2-yl)-2-methylazepane;2,4,6-trinitrophenol.
Chemical Property Profile of 1-(1-Chloropropan-2-yl)-2-methylazepane;2,4,6-trinitrophenol
Property Insights of 1-(1-Chloropropan-2-yl)-2-methylazepane;2,4,6-trinitrophenol
The XLogP value of 3.995 indicates that 1-(1-Chloropropan-2-yl)-2-methylazepane;2,4,6-trinitrophenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 161.0 Ų indicates high polarity, suggesting 1-(1-Chloropropan-2-yl)-2-methylazepane;2,4,6-trinitrophenol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(1-Chloropropan-2-yl)-2-methylazepane;2,4,6-trinitrophenol has 1 hydrogen bond donor(s) and 8 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-(1-Chloropropan-2-yl)-2-methylazepane;2,4,6-trinitrophenol?
The CAS number of 1-(1-Chloropropan-2-yl)-2-methylazepane;2,4,6-trinitrophenol is 7468-70-4.
What is the molecular formula of 1-(1-Chloropropan-2-yl)-2-methylazepane;2,4,6-trinitrophenol?
The molecular formula of 1-(1-Chloropropan-2-yl)-2-methylazepane;2,4,6-trinitrophenol is C16H23ClN4O7.
What is the molecular weight of 1-(1-Chloropropan-2-yl)-2-methylazepane;2,4,6-trinitrophenol?
The molecular weight of 1-(1-Chloropropan-2-yl)-2-methylazepane;2,4,6-trinitrophenol is 418.13 g/mol.
Where can I buy 1-(1-Chloropropan-2-yl)-2-methylazepane;2,4,6-trinitrophenol?
You can request a quote for 1-(1-Chloropropan-2-yl)-2-methylazepane;2,4,6-trinitrophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-Chloropropan-2-yl)-2-methylazepane;2,4,6-trinitrophenol?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Chloropropan-2-yl)-2-methylazepane;2,4,6-trinitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.