1-(2H-1,3-benzodioxol-5-yl)-N-phenylmethanimine oxide
TL;DR: 1-(2H-1,3-benzodioxol-5-yl)-N-phenylmethanimine oxide (CAS 95794-11-9) is a chemical compound with molecular formula C14H11NO3 and molecular weight 241.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-N-phenylmethanimine oxide
Also Known As: 1-(2H-1,3-benzodioxol-5-yl)-N-phenylmethanimine oxide, (1,3-benzodioxol-5-ylmethylene)(phenyl)azane oxide, 1-(1,3-benzodioxol-5-yl)-N-phenylmethanimine oxide
| Molecular Formula | C14H11NO3 |
|---|---|
| Molecular Weight | 241.07 g/mol |
| LogP | 2.6762 |
| Topological Polar Surface Area | 44.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 241.0739 |
| Heavy Atoms | 18 |
| Complexity | 593.24304 |
Chemical Identifiers
| CAS Number | 95794-11-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C=[N+](C3=CC=CC=C3)[O-] |
Product Overview
1-(2H-1,3-benzodioxol-5-yl)-N-phenylmethanimine oxide (CAS 95794-11-9), with molecular formula C14H11NO3 and molecular weight 241.07 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-N-phenylmethanimine oxide.
Chemical Property Profile of 1-(2H-1,3-benzodioxol-5-yl)-N-phenylmethanimine oxide
Property Insights of 1-(2H-1,3-benzodioxol-5-yl)-N-phenylmethanimine oxide
The XLogP value of 2.6762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2H-1,3-benzodioxol-5-yl)-N-phenylmethanimine oxide. With a topological polar surface area (TPSA) of 44.53 Ų, 1-(2H-1,3-benzodioxol-5-yl)-N-phenylmethanimine oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2H-1,3-benzodioxol-5-yl)-N-phenylmethanimine 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 1-(2H-1,3-benzodioxol-5-yl)-N-phenylmethanimine oxide?
The CAS number of 1-(2H-1,3-benzodioxol-5-yl)-N-phenylmethanimine oxide is 95794-11-9.
What is the molecular formula of 1-(2H-1,3-benzodioxol-5-yl)-N-phenylmethanimine oxide?
The molecular formula of 1-(2H-1,3-benzodioxol-5-yl)-N-phenylmethanimine oxide is C14H11NO3.
What is the molecular weight of 1-(2H-1,3-benzodioxol-5-yl)-N-phenylmethanimine oxide?
The molecular weight of 1-(2H-1,3-benzodioxol-5-yl)-N-phenylmethanimine oxide is 241.07 g/mol.
Where can I buy 1-(2H-1,3-benzodioxol-5-yl)-N-phenylmethanimine oxide?
You can request a quote for 1-(2H-1,3-benzodioxol-5-yl)-N-phenylmethanimine oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2H-1,3-benzodioxol-5-yl)-N-phenylmethanimine oxide?
Yes, KEHONG BIO provides custom synthesis services for 1-(2H-1,3-benzodioxol-5-yl)-N-phenylmethanimine oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.