1-Methyl-4-(3-nitrobenzyl)-1,4-diazepane
TL;DR: 1-Methyl-4-(3-nitrobenzyl)-1,4-diazepane (CAS 280560-81-8) is a chemical compound with molecular formula C13H19N3O2 and molecular weight 249.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-[(3-nitrophenyl)methyl]-1,4-diazepane
Also Known As: 1-methyl-4-(3-nitrobenzyl)-1,4-diazepane, 1-methyl-4-[(3-nitrophenyl)methyl]-1,4-diazepane, BAS 00638052, 1-Methyl-4-(3-nitro-benzyl)-[1,4]diazepane, 1-({3-nitrophenyl}methyl)-4-methyl-1,4-diazepane
| Molecular Formula | C13H19N3O2 |
|---|---|
| Molecular Weight | 249.15 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.14772 |
| Heavy Atoms | 18 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 280560-81-8 |
|---|---|
| SMILES | CN1CCCN(CC1)CC2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | GSSDFFATVJALPZ-UHFFFAOYSA-N |
Product Overview
1-Methyl-4-(3-nitrobenzyl)-1,4-diazepane (CAS 280560-81-8), with molecular formula C13H19N3O2 and molecular weight 249.15 g/mol. IUPAC: 1-methyl-4-[(3-nitrophenyl)methyl]-1,4-diazepane.
Chemical Property Profile of 1-Methyl-4-(3-nitrobenzyl)-1,4-diazepane
Property Insights of 1-Methyl-4-(3-nitrobenzyl)-1,4-diazepane
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-4-(3-nitrobenzyl)-1,4-diazepane. With a topological polar surface area (TPSA) of 52.3 Ų, 1-Methyl-4-(3-nitrobenzyl)-1,4-diazepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-4-(3-nitrobenzyl)-1,4-diazepane has 0 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-Methyl-4-(3-nitrobenzyl)-1,4-diazepane?
The CAS number of 1-Methyl-4-(3-nitrobenzyl)-1,4-diazepane is 280560-81-8.
What is the molecular formula of 1-Methyl-4-(3-nitrobenzyl)-1,4-diazepane?
The molecular formula of 1-Methyl-4-(3-nitrobenzyl)-1,4-diazepane is C13H19N3O2.
What is the molecular weight of 1-Methyl-4-(3-nitrobenzyl)-1,4-diazepane?
The molecular weight of 1-Methyl-4-(3-nitrobenzyl)-1,4-diazepane is 249.15 g/mol.
Where can I buy 1-Methyl-4-(3-nitrobenzyl)-1,4-diazepane?
You can request a quote for 1-Methyl-4-(3-nitrobenzyl)-1,4-diazepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-4-(3-nitrobenzyl)-1,4-diazepane?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-4-(3-nitrobenzyl)-1,4-diazepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.