N-(3,4-dimethoxybenzyl)-2-methoxy-5-nitroaniline
TL;DR: N-(3,4-dimethoxybenzyl)-2-methoxy-5-nitroaniline (CAS 353772-37-9) is a chemical compound with molecular formula C16H18N2O5 and molecular weight 318.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3,4-dimethoxyphenyl)methyl]-2-methoxy-5-nitroaniline
Also Known As: N-(3,4-dimethoxybenzyl)-2-methoxy-5-nitroaniline, N-[(3,4-dimethoxyphenyl)methyl]-2-methoxy-5-nitroaniline, N-(3,4-DIMETHOXYBENZYL)-N-(2-METHOXY-5-NITROPHENYL)AMINE
| Molecular Formula | C16H18N2O5 |
|---|---|
| Molecular Weight | 318.12 g/mol |
| LogP | 3.2327 |
| Topological Polar Surface Area | 82.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 318.12158 |
| Heavy Atoms | 23 |
| Complexity | 702.8651 |
Chemical Identifiers
| CAS Number | 353772-37-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)[N+](=O)[O-])NCC2=CC(=C(C=C2)OC)OC |
Product Overview
N-(3,4-dimethoxybenzyl)-2-methoxy-5-nitroaniline (CAS 353772-37-9), with molecular formula C16H18N2O5 and molecular weight 318.12 g/mol. IUPAC: N-[(3,4-dimethoxyphenyl)methyl]-2-methoxy-5-nitroaniline.
Chemical Property Profile of N-(3,4-dimethoxybenzyl)-2-methoxy-5-nitroaniline
Property Insights of N-(3,4-dimethoxybenzyl)-2-methoxy-5-nitroaniline
The XLogP value of 3.2327 indicates that N-(3,4-dimethoxybenzyl)-2-methoxy-5-nitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.86 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3,4-dimethoxybenzyl)-2-methoxy-5-nitroaniline. Following Lipinski's Rule of Five, N-(3,4-dimethoxybenzyl)-2-methoxy-5-nitroaniline has 1 hydrogen bond donor(s) and 6 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-(3,4-dimethoxybenzyl)-2-methoxy-5-nitroaniline?
The CAS number of N-(3,4-dimethoxybenzyl)-2-methoxy-5-nitroaniline is 353772-37-9.
What is the molecular formula of N-(3,4-dimethoxybenzyl)-2-methoxy-5-nitroaniline?
The molecular formula of N-(3,4-dimethoxybenzyl)-2-methoxy-5-nitroaniline is C16H18N2O5.
What is the molecular weight of N-(3,4-dimethoxybenzyl)-2-methoxy-5-nitroaniline?
The molecular weight of N-(3,4-dimethoxybenzyl)-2-methoxy-5-nitroaniline is 318.12 g/mol.
Where can I buy N-(3,4-dimethoxybenzyl)-2-methoxy-5-nitroaniline?
You can request a quote for N-(3,4-dimethoxybenzyl)-2-methoxy-5-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3,4-dimethoxybenzyl)-2-methoxy-5-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(3,4-dimethoxybenzyl)-2-methoxy-5-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.