1-(2-nitrophenyl)-1,4-diazepane Hydrochloride
TL;DR: 1-(2-nitrophenyl)-1,4-diazepane Hydrochloride (CAS 299425-72-2) is a chemical compound with molecular formula C11H16ClN3O2 and molecular weight 257.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-nitrophenyl)-1,4-diazepane;hydrochloride
Also Known As: 1-(2-nitrophenyl)-1,4-diazepane Hydrochloride, 1-(2-nitrophenyl)-1,4-diazepane;hydrochloride
| Molecular Formula | C11H16ClN3O2 |
|---|---|
| Molecular Weight | 257.09 g/mol |
| LogP | 1.8163 |
| Topological Polar Surface Area | 58.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.0931 |
| Heavy Atoms | 17 |
| Complexity | 378.73422 |
Chemical Identifiers
| CAS Number | 299425-72-2 |
|---|---|
| SMILES | C1CNCCN(C1)C2=CC=CC=C2[N+](=O)[O-].Cl |
Product Overview
1-(2-nitrophenyl)-1,4-diazepane Hydrochloride (CAS 299425-72-2), with molecular formula C11H16ClN3O2 and molecular weight 257.09 g/mol. IUPAC: 1-(2-nitrophenyl)-1,4-diazepane;hydrochloride.
Chemical Property Profile of 1-(2-nitrophenyl)-1,4-diazepane Hydrochloride
Property Insights of 1-(2-nitrophenyl)-1,4-diazepane Hydrochloride
The XLogP value of 1.8163 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-nitrophenyl)-1,4-diazepane Hydrochloride. With a topological polar surface area (TPSA) of 58.41 Ų, 1-(2-nitrophenyl)-1,4-diazepane Hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-nitrophenyl)-1,4-diazepane Hydrochloride has 1 hydrogen bond donor(s) and 4 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-(2-nitrophenyl)-1,4-diazepane Hydrochloride?
The CAS number of 1-(2-nitrophenyl)-1,4-diazepane Hydrochloride is 299425-72-2.
What is the molecular formula of 1-(2-nitrophenyl)-1,4-diazepane Hydrochloride?
The molecular formula of 1-(2-nitrophenyl)-1,4-diazepane Hydrochloride is C11H16ClN3O2.
What is the molecular weight of 1-(2-nitrophenyl)-1,4-diazepane Hydrochloride?
The molecular weight of 1-(2-nitrophenyl)-1,4-diazepane Hydrochloride is 257.09 g/mol.
Where can I buy 1-(2-nitrophenyl)-1,4-diazepane Hydrochloride?
You can request a quote for 1-(2-nitrophenyl)-1,4-diazepane Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-nitrophenyl)-1,4-diazepane Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-nitrophenyl)-1,4-diazepane Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.