N-(1,3-benzodioxol-5-ylmethyl)-3,4-dichloroaniline
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-3,4-dichloroaniline (CAS 341008-42-2) is a chemical compound with molecular formula C14H11Cl2NO2 and molecular weight 295.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dichloroaniline
Also Known As: ASN 07018662, N-(1,3-benzodioxol-5-ylmethyl)-3,4-dichloroaniline, Benzo[1,3]dioxol-5-ylmethyl-(3,4-dichloro-phenyl)-amine, AN-465/12076751, N-(benzo[d][1,3]dioxol-5-ylmethyl)-3,4-dichloroaniline
| Molecular Formula | C14H11Cl2NO2 |
|---|---|
| Molecular Weight | 295.02 g/mol |
| LogP | 4.3342 |
| Topological Polar Surface Area | 30.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.0167 |
| Heavy Atoms | 19 |
| Complexity | 616.39014 |
Chemical Identifiers
| CAS Number | 341008-42-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC3=CC(=C(C=C3)Cl)Cl |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dichloroaniline (CAS 341008-42-2), with molecular formula C14H11Cl2NO2 and molecular weight 295.02 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-3,4-dichloroaniline.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-3,4-dichloroaniline
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-3,4-dichloroaniline
The XLogP value of 4.3342 indicates that N-(1,3-benzodioxol-5-ylmethyl)-3,4-dichloroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.49 Ų, N-(1,3-benzodioxol-5-ylmethyl)-3,4-dichloroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-3,4-dichloroaniline has 1 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-(1,3-benzodioxol-5-ylmethyl)-3,4-dichloroaniline?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-3,4-dichloroaniline is 341008-42-2.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-3,4-dichloroaniline?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-3,4-dichloroaniline is C14H11Cl2NO2.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-3,4-dichloroaniline?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-3,4-dichloroaniline is 295.02 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-3,4-dichloroaniline?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-3,4-dichloroaniline 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-ylmethyl)-3,4-dichloroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-3,4-dichloroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.