N-(1,3-Benzodioxol-5-ylmethylene)-5-chloro-2,4-dimethoxyaniline
TL;DR: N-(1,3-Benzodioxol-5-ylmethylene)-5-chloro-2,4-dimethoxyaniline (CAS 1810-60-2) is a chemical compound with molecular formula C16H14ClNO4 and molecular weight 319.06 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-(5-chloro-2,4-dimethoxyphenyl)methanimine
Also Known As: n-[(e)-1,3-benzodioxol-5-ylmethylidene]-5-chloro-2,4-dimethoxyaniline, N-(1,3-BENZODIOXOL-5-YLMETHYLENE)-5-CHLORO-2,4-DIMETHOXYANILINE, 1-(1,3-benzodioxol-5-yl)-N-(5-chloro-2,4-dimethoxyphenyl)met, 1-(1,3-benzodioxol-5-yl)-N-(5-chloro-2,4-dimethoxyphenyl)methanimine, (E)-1-(2H-1,3-Benzodioxol-5-yl)-N-(5-chloro-2,4-dimethoxyphenyl)methanimine
| Molecular Formula | C16H14ClNO4 |
|---|---|
| Molecular Weight | 319.06 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.06113 |
| Heavy Atoms | 22 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 1810-60-2 |
|---|---|
| SMILES | COC1=CC(=C(C=C1N=CC2=CC3=C(C=C2)OCO3)Cl)OC |
| InChIKey | WERHNGROOIVTDA-UHFFFAOYSA-N |
Product Overview
N-(1,3-Benzodioxol-5-ylmethylene)-5-chloro-2,4-dimethoxyaniline (CAS 1810-60-2), with molecular formula C16H14ClNO4 and molecular weight 319.06 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-N-(5-chloro-2,4-dimethoxyphenyl)methanimine.
Chemical Property Profile of N-(1,3-Benzodioxol-5-ylmethylene)-5-chloro-2,4-dimethoxyaniline
Property Insights of N-(1,3-Benzodioxol-5-ylmethylene)-5-chloro-2,4-dimethoxyaniline
The XLogP value of 3.6 indicates that N-(1,3-Benzodioxol-5-ylmethylene)-5-chloro-2,4-dimethoxyaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.3 Ų, N-(1,3-Benzodioxol-5-ylmethylene)-5-chloro-2,4-dimethoxyaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-Benzodioxol-5-ylmethylene)-5-chloro-2,4-dimethoxyaniline has 0 hydrogen bond donor(s) and 5 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-(1,3-Benzodioxol-5-ylmethylene)-5-chloro-2,4-dimethoxyaniline?
The CAS number of N-(1,3-Benzodioxol-5-ylmethylene)-5-chloro-2,4-dimethoxyaniline is 1810-60-2.
What is the molecular formula of N-(1,3-Benzodioxol-5-ylmethylene)-5-chloro-2,4-dimethoxyaniline?
The molecular formula of N-(1,3-Benzodioxol-5-ylmethylene)-5-chloro-2,4-dimethoxyaniline is C16H14ClNO4.
What is the molecular weight of N-(1,3-Benzodioxol-5-ylmethylene)-5-chloro-2,4-dimethoxyaniline?
The molecular weight of N-(1,3-Benzodioxol-5-ylmethylene)-5-chloro-2,4-dimethoxyaniline is 319.06 g/mol.
Where can I buy N-(1,3-Benzodioxol-5-ylmethylene)-5-chloro-2,4-dimethoxyaniline?
You can request a quote for N-(1,3-Benzodioxol-5-ylmethylene)-5-chloro-2,4-dimethoxyaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-Benzodioxol-5-ylmethylene)-5-chloro-2,4-dimethoxyaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-Benzodioxol-5-ylmethylene)-5-chloro-2,4-dimethoxyaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.