N-benzyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanimine oxide
TL;DR: N-benzyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanimine oxide (CAS 91190-38-4) is a chemical compound with molecular formula C13H17NO3 and molecular weight 235.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanimine oxide
Also Known As: 2-methyl-2,7-diazaspiro<4.4>nonane-1,3,8-trione, N-benzyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanimine oxide, (S,Z)-N-benzyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanimine oxide
| Molecular Formula | C13H17NO3 |
|---|---|
| Molecular Weight | 235.12 g/mol |
| LogP | 1.9192 |
| Topological Polar Surface Area | 44.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.12085 |
| Heavy Atoms | 17 |
| Complexity | 400.3854 |
Chemical Identifiers
| CAS Number | 91190-38-4 |
|---|---|
| SMILES | CC1(OCC(O1)/C=[N+](/CC2=CC=CC=C2)\[O-])C |
Product Overview
N-benzyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanimine oxide (CAS 91190-38-4), with molecular formula C13H17NO3 and molecular weight 235.12 g/mol. IUPAC: N-benzyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanimine oxide.
Chemical Property Profile of N-benzyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanimine oxide
Property Insights of N-benzyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanimine oxide
The XLogP value of 1.9192 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanimine oxide. With a topological polar surface area (TPSA) of 44.53 Ų, N-benzyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanimine oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanimine oxide has 0 hydrogen bond donor(s) and 3 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 N-benzyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanimine oxide?
The CAS number of N-benzyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanimine oxide is 91190-38-4.
What is the molecular formula of N-benzyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanimine oxide?
The molecular formula of N-benzyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanimine oxide is C13H17NO3.
What is the molecular weight of N-benzyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanimine oxide?
The molecular weight of N-benzyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanimine oxide is 235.12 g/mol.
Where can I buy N-benzyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanimine oxide?
You can request a quote for N-benzyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanimine oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanimine oxide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanimine oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.