1,3-Dibenzyl-5-methyl-5-nitro-1,3-diazinane
TL;DR: 1,3-Dibenzyl-5-methyl-5-nitro-1,3-diazinane (CAS 4064-97-5) is a chemical compound with molecular formula C19H23N3O2 and molecular weight 325.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dibenzyl-5-methyl-5-nitro-1,3-diazinane
Also Known As: 1,3-dibenzyl-5-methyl-5-nitro-1,3-diazinane, 1,3-dibenzyl-5-methyl-5-nitro-hexahydropyrimidine
| Molecular Formula | C19H23N3O2 |
|---|---|
| Molecular Weight | 325.18 g/mol |
| LogP | 2.9973 |
| Topological Polar Surface Area | 49.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 325.17902 |
| Heavy Atoms | 24 |
| Complexity | 626.02594 |
Chemical Identifiers
| CAS Number | 4064-97-5 |
|---|---|
| SMILES | CC1(CN(CN(C1)CC2=CC=CC=C2)CC3=CC=CC=C3)[N+](=O)[O-] |
Product Overview
1,3-Dibenzyl-5-methyl-5-nitro-1,3-diazinane (CAS 4064-97-5), with molecular formula C19H23N3O2 and molecular weight 325.18 g/mol. IUPAC: 1,3-dibenzyl-5-methyl-5-nitro-1,3-diazinane.
Chemical Property Profile of 1,3-Dibenzyl-5-methyl-5-nitro-1,3-diazinane
Property Insights of 1,3-Dibenzyl-5-methyl-5-nitro-1,3-diazinane
The XLogP value of 2.9973 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dibenzyl-5-methyl-5-nitro-1,3-diazinane. With a topological polar surface area (TPSA) of 49.62 Ų, 1,3-Dibenzyl-5-methyl-5-nitro-1,3-diazinane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dibenzyl-5-methyl-5-nitro-1,3-diazinane 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 1,3-Dibenzyl-5-methyl-5-nitro-1,3-diazinane?
The CAS number of 1,3-Dibenzyl-5-methyl-5-nitro-1,3-diazinane is 4064-97-5.
What is the molecular formula of 1,3-Dibenzyl-5-methyl-5-nitro-1,3-diazinane?
The molecular formula of 1,3-Dibenzyl-5-methyl-5-nitro-1,3-diazinane is C19H23N3O2.
What is the molecular weight of 1,3-Dibenzyl-5-methyl-5-nitro-1,3-diazinane?
The molecular weight of 1,3-Dibenzyl-5-methyl-5-nitro-1,3-diazinane is 325.18 g/mol.
Where can I buy 1,3-Dibenzyl-5-methyl-5-nitro-1,3-diazinane?
You can request a quote for 1,3-Dibenzyl-5-methyl-5-nitro-1,3-diazinane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dibenzyl-5-methyl-5-nitro-1,3-diazinane?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dibenzyl-5-methyl-5-nitro-1,3-diazinane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.