1-(6-Chloro-2-methyl-5-nitropyrimidin-4-yl)azepane
TL;DR: 1-(6-Chloro-2-methyl-5-nitropyrimidin-4-yl)azepane (CAS 352555-41-0) is a chemical compound with molecular formula C11H15ClN4O2 and molecular weight 270.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6-chloro-2-methyl-5-nitropyrimidin-4-yl)azepane
Also Known As: 1-(6-chloro-2-methyl-5-nitropyrimidin-4-yl)azepane, 1-{6-chloro-5-nitro-2-methyl-4-pyrimidinyl}azepane, AH-262/37295004
| Molecular Formula | C11H15ClN4O2 |
|---|---|
| Molecular Weight | 270.09 g/mol |
| LogP | 2.72702 |
| Topological Polar Surface Area | 72.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.08835 |
| Heavy Atoms | 18 |
| Complexity | 458.6016 |
Chemical Identifiers
| CAS Number | 352555-41-0 |
|---|---|
| SMILES | CC1=NC(=C(C(=N1)Cl)[N+](=O)[O-])N2CCCCCC2 |
Product Overview
1-(6-Chloro-2-methyl-5-nitropyrimidin-4-yl)azepane (CAS 352555-41-0), with molecular formula C11H15ClN4O2 and molecular weight 270.09 g/mol. IUPAC: 1-(6-chloro-2-methyl-5-nitropyrimidin-4-yl)azepane.
Chemical Property Profile of 1-(6-Chloro-2-methyl-5-nitropyrimidin-4-yl)azepane
Property Insights of 1-(6-Chloro-2-methyl-5-nitropyrimidin-4-yl)azepane
The XLogP value of 2.72702 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(6-Chloro-2-methyl-5-nitropyrimidin-4-yl)azepane. The TPSA of 72.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(6-Chloro-2-methyl-5-nitropyrimidin-4-yl)azepane. Following Lipinski's Rule of Five, 1-(6-Chloro-2-methyl-5-nitropyrimidin-4-yl)azepane has 0 hydrogen bond donor(s) and 5 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-(6-Chloro-2-methyl-5-nitropyrimidin-4-yl)azepane?
The CAS number of 1-(6-Chloro-2-methyl-5-nitropyrimidin-4-yl)azepane is 352555-41-0.
What is the molecular formula of 1-(6-Chloro-2-methyl-5-nitropyrimidin-4-yl)azepane?
The molecular formula of 1-(6-Chloro-2-methyl-5-nitropyrimidin-4-yl)azepane is C11H15ClN4O2.
What is the molecular weight of 1-(6-Chloro-2-methyl-5-nitropyrimidin-4-yl)azepane?
The molecular weight of 1-(6-Chloro-2-methyl-5-nitropyrimidin-4-yl)azepane is 270.09 g/mol.
Where can I buy 1-(6-Chloro-2-methyl-5-nitropyrimidin-4-yl)azepane?
You can request a quote for 1-(6-Chloro-2-methyl-5-nitropyrimidin-4-yl)azepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(6-Chloro-2-methyl-5-nitropyrimidin-4-yl)azepane?
Yes, KEHONG BIO provides custom synthesis services for 1-(6-Chloro-2-methyl-5-nitropyrimidin-4-yl)azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.