4-Bromo-N-piperonylideneaniline
TL;DR: 4-Bromo-N-piperonylideneaniline (CAS 18054-63-2) is a chemical compound with molecular formula C14H10BrNO2 and molecular weight 302.99 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-(4-bromophenyl)methanimine
Also Known As: 4-BROMO-N-PIPERONYLIDENEANILINE, N-[(E)-1,3-benzodioxol-5-ylmethylidene]-4-bromoaniline, n-[(e)-1,3-benzodioxol-5-ylmethylene]-4-bromoaniline, 1-(1,3-benzodioxol-5-yl)-N-(4-bromophenyl)methanimine, 5-[2-(4-bromophenyl)-2-azavinyl]-2H-benzo[d]1,3-dioxolane
| Molecular Formula | C14H10BrNO2 |
|---|---|
| Molecular Weight | 302.99 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 30.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 302.9895 |
| Heavy Atoms | 18 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 18054-63-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C=NC3=CC=C(C=C3)Br |
| InChIKey | SIWGMOUGLBGTRY-UHFFFAOYSA-N |
Product Overview
4-Bromo-N-piperonylideneaniline (CAS 18054-63-2), with molecular formula C14H10BrNO2 and molecular weight 302.99 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-N-(4-bromophenyl)methanimine.
Chemical Property Profile of 4-Bromo-N-piperonylideneaniline
Property Insights of 4-Bromo-N-piperonylideneaniline
The XLogP value of 3.6 indicates that 4-Bromo-N-piperonylideneaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.8 Ų, 4-Bromo-N-piperonylideneaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-N-piperonylideneaniline 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 4-Bromo-N-piperonylideneaniline?
The CAS number of 4-Bromo-N-piperonylideneaniline is 18054-63-2.
What is the molecular formula of 4-Bromo-N-piperonylideneaniline?
The molecular formula of 4-Bromo-N-piperonylideneaniline is C14H10BrNO2.
What is the molecular weight of 4-Bromo-N-piperonylideneaniline?
The molecular weight of 4-Bromo-N-piperonylideneaniline is 302.99 g/mol.
Where can I buy 4-Bromo-N-piperonylideneaniline?
You can request a quote for 4-Bromo-N-piperonylideneaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-N-piperonylideneaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-N-piperonylideneaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.