3-Benzyl-5-methyl-5-nitro-1,3-oxazinane
TL;DR: 3-Benzyl-5-methyl-5-nitro-1,3-oxazinane (CAS 4245-00-5) is a chemical compound with molecular formula C12H16N2O3 and molecular weight 236.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-5-methyl-5-nitro-1,3-oxazinane
Also Known As: 3-benzyl-5-methyl-5-nitro-1,3-oxazinane, 3-benzyl-5-nitro-5-methyl-1,3-oxazinane, AJ-030/12106092
| Molecular Formula | C12H16N2O3 |
|---|---|
| Molecular Weight | 236.12 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 58.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.11609 |
| Heavy Atoms | 17 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 4245-00-5 |
|---|---|
| SMILES | CC1(CN(COC1)CC2=CC=CC=C2)[N+](=O)[O-] |
| InChIKey | BNSGAWSGAXBPGH-UHFFFAOYSA-N |
Product Overview
3-Benzyl-5-methyl-5-nitro-1,3-oxazinane (CAS 4245-00-5), with molecular formula C12H16N2O3 and molecular weight 236.12 g/mol. IUPAC: 3-benzyl-5-methyl-5-nitro-1,3-oxazinane.
Chemical Property Profile of 3-Benzyl-5-methyl-5-nitro-1,3-oxazinane
Property Insights of 3-Benzyl-5-methyl-5-nitro-1,3-oxazinane
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzyl-5-methyl-5-nitro-1,3-oxazinane. With a topological polar surface area (TPSA) of 58.3 Ų, 3-Benzyl-5-methyl-5-nitro-1,3-oxazinane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzyl-5-methyl-5-nitro-1,3-oxazinane 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 3-Benzyl-5-methyl-5-nitro-1,3-oxazinane?
The CAS number of 3-Benzyl-5-methyl-5-nitro-1,3-oxazinane is 4245-00-5.
What is the molecular formula of 3-Benzyl-5-methyl-5-nitro-1,3-oxazinane?
The molecular formula of 3-Benzyl-5-methyl-5-nitro-1,3-oxazinane is C12H16N2O3.
What is the molecular weight of 3-Benzyl-5-methyl-5-nitro-1,3-oxazinane?
The molecular weight of 3-Benzyl-5-methyl-5-nitro-1,3-oxazinane is 236.12 g/mol.
Where can I buy 3-Benzyl-5-methyl-5-nitro-1,3-oxazinane?
You can request a quote for 3-Benzyl-5-methyl-5-nitro-1,3-oxazinane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzyl-5-methyl-5-nitro-1,3-oxazinane?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-5-methyl-5-nitro-1,3-oxazinane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.