N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-nitroaniline
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-nitroaniline (CAS 331964-92-2) is a chemical compound with molecular formula C15H14N2O4 and molecular weight 286.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-nitroaniline
Also Known As: N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-nitroaniline, AB00089067-01, N-(2H-1,3-BENZODIOXOL-5-YLMETHYL)-2-METHYL-4-NITROANILINE, N-(1,3-BENZODIOXOL-5-YLMETHYL)-N-(2-METHYL-4-NITROPHENYL)AMINE
| Molecular Formula | C15H14N2O4 |
|---|---|
| Molecular Weight | 286.10 g/mol |
| LogP | 3.24402 |
| Topological Polar Surface Area | 73.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 286.09537 |
| Heavy Atoms | 21 |
| Complexity | 700.0681 |
Chemical Identifiers
| CAS Number | 331964-92-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC3=C(C=C2)OCO3 |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-nitroaniline (CAS 331964-92-2), with molecular formula C15H14N2O4 and molecular weight 286.10 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-nitroaniline.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-nitroaniline
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-nitroaniline
The XLogP value of 3.24402 indicates that N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-nitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.63 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-nitroaniline. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-nitroaniline 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 N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-nitroaniline?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-nitroaniline is 331964-92-2.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-nitroaniline?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-nitroaniline is C15H14N2O4.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-nitroaniline?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-nitroaniline is 286.10 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-nitroaniline?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-nitroaniline 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)-2-methyl-4-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.