3,4-Methylenedioxybenzylidene aniline
TL;DR: 3,4-Methylenedioxybenzylidene aniline (CAS 853099-64-6) is a chemical compound with molecular formula C14H11NO2 and molecular weight 225.08 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
Also Known As: 3,4-Methylenedioxybenzylidene aniline, Piperonylidene Aniline, N-Piperonylideneaniline, 3,4-Methylenedioxybenzylideneaniline, Bionet2_001675
| Molecular Formula | C14H11NO2 |
|---|---|
| Molecular Weight | 225.08 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 30.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.07898 |
| Heavy Atoms | 17 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 853099-64-6 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C=NC3=CC=CC=C3 |
| InChIKey | OCPBTGFXVLONGM-UHFFFAOYSA-N |
Product Overview
3,4-Methylenedioxybenzylidene aniline (CAS 853099-64-6), with molecular formula C14H11NO2 and molecular weight 225.08 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-N-phenylmethanimine.
Chemical Property Profile of 3,4-Methylenedioxybenzylidene aniline
Property Insights of 3,4-Methylenedioxybenzylidene aniline
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Methylenedioxybenzylidene aniline. With a topological polar surface area (TPSA) of 30.8 Ų, 3,4-Methylenedioxybenzylidene aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Methylenedioxybenzylidene aniline 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 3,4-Methylenedioxybenzylidene aniline?
The CAS number of 3,4-Methylenedioxybenzylidene aniline is 853099-64-6.
What is the molecular formula of 3,4-Methylenedioxybenzylidene aniline?
The molecular formula of 3,4-Methylenedioxybenzylidene aniline is C14H11NO2.
What is the molecular weight of 3,4-Methylenedioxybenzylidene aniline?
The molecular weight of 3,4-Methylenedioxybenzylidene aniline is 225.08 g/mol.
Where can I buy 3,4-Methylenedioxybenzylidene aniline?
You can request a quote for 3,4-Methylenedioxybenzylidene aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Methylenedioxybenzylidene aniline?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Methylenedioxybenzylidene aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.