2-(1,3-benzodioxol-5-yl)-N-(4-nitrobenzyl)ethanamine
TL;DR: 2-(1,3-benzodioxol-5-yl)-N-(4-nitrobenzyl)ethanamine (CAS 355383-17-4) is a chemical compound with molecular formula C16H16N2O4 and molecular weight 300.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-yl)-N-[(4-nitrophenyl)methyl]ethanamine
Also Known As: AB00087912-01, 2-(1,3-benzodioxol-5-yl)-N-(4-nitrobenzyl)ethanamine, 2-(1,3-benzodioxol-5-yl)-N-[(4-nitrophenyl)methyl]ethanamine, 2-benzo[1,3]dioxol-5-yl-N-[(4-nitrophenyl)methyl]ethanamine, [2-(2H-1,3-BENZODIOXOL-5-YL)ETHYL][(4-NITROPHENYL)METHYL]AMINE
| Molecular Formula | C16H16N2O4 |
|---|---|
| Molecular Weight | 300.11 g/mol |
| LogP | 2.6558 |
| Topological Polar Surface Area | 73.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 300.111 |
| Heavy Atoms | 22 |
| Complexity | 670.34607 |
Chemical Identifiers
| CAS Number | 355383-17-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CCNCC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
2-(1,3-benzodioxol-5-yl)-N-(4-nitrobenzyl)ethanamine (CAS 355383-17-4), with molecular formula C16H16N2O4 and molecular weight 300.11 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)-N-[(4-nitrophenyl)methyl]ethanamine.
Chemical Property Profile of 2-(1,3-benzodioxol-5-yl)-N-(4-nitrobenzyl)ethanamine
Property Insights of 2-(1,3-benzodioxol-5-yl)-N-(4-nitrobenzyl)ethanamine
The XLogP value of 2.6558 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-benzodioxol-5-yl)-N-(4-nitrobenzyl)ethanamine. The TPSA of 73.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-benzodioxol-5-yl)-N-(4-nitrobenzyl)ethanamine. Following Lipinski's Rule of Five, 2-(1,3-benzodioxol-5-yl)-N-(4-nitrobenzyl)ethanamine has 1 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 2-(1,3-benzodioxol-5-yl)-N-(4-nitrobenzyl)ethanamine?
The CAS number of 2-(1,3-benzodioxol-5-yl)-N-(4-nitrobenzyl)ethanamine is 355383-17-4.
What is the molecular formula of 2-(1,3-benzodioxol-5-yl)-N-(4-nitrobenzyl)ethanamine?
The molecular formula of 2-(1,3-benzodioxol-5-yl)-N-(4-nitrobenzyl)ethanamine is C16H16N2O4.
What is the molecular weight of 2-(1,3-benzodioxol-5-yl)-N-(4-nitrobenzyl)ethanamine?
The molecular weight of 2-(1,3-benzodioxol-5-yl)-N-(4-nitrobenzyl)ethanamine is 300.11 g/mol.
Where can I buy 2-(1,3-benzodioxol-5-yl)-N-(4-nitrobenzyl)ethanamine?
You can request a quote for 2-(1,3-benzodioxol-5-yl)-N-(4-nitrobenzyl)ethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-benzodioxol-5-yl)-N-(4-nitrobenzyl)ethanamine?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-benzodioxol-5-yl)-N-(4-nitrobenzyl)ethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.