4,5-Dimethoxy-alpha-methyl-2-nitrobenzyl p-methoxyphenyl ether
TL;DR: 4,5-Dimethoxy-alpha-methyl-2-nitrobenzyl p-methoxyphenyl ether (CAS 71172-14-0) is a chemical compound with molecular formula C17H19NO6 and molecular weight 333.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-dimethoxy-4-[2-(4-methoxyphenoxy)ethyl]-5-nitrobenzene
Also Known As: KST-1B8240, 1,2-dimethoxy-4-[2-(4-methoxyphenoxy)ethyl]-5-nitrobenzene, Benzene, 1,2-dimethoxy-4-(1-(4-methoxyphenoxy)ethyl)-5-nitro-, 1,2-Dimethoxy-4-(1-(4-methoxyphenoxy)ethyl)-5-nitrobenzene, 4,5-Dimethoxy-alpha-methyl-2-nitrobenzyl p-methoxyphenyl ether
| Molecular Formula | C17H19NO6 |
|---|---|
| Molecular Weight | 333.12 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 82.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 333.12125 |
| Heavy Atoms | 24 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 71172-14-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)OCCC2=CC(=C(C=C2[N+](=O)[O-])OC)OC |
| InChIKey | LVINTXDWQOIXHH-UHFFFAOYSA-N |
Product Overview
4,5-Dimethoxy-alpha-methyl-2-nitrobenzyl p-methoxyphenyl ether (CAS 71172-14-0), with molecular formula C17H19NO6 and molecular weight 333.12 g/mol. IUPAC: 1,2-dimethoxy-4-[2-(4-methoxyphenoxy)ethyl]-5-nitrobenzene.
Chemical Property Profile of 4,5-Dimethoxy-alpha-methyl-2-nitrobenzyl p-methoxyphenyl ether
Property Insights of 4,5-Dimethoxy-alpha-methyl-2-nitrobenzyl p-methoxyphenyl ether
The XLogP value of 3.6 indicates that 4,5-Dimethoxy-alpha-methyl-2-nitrobenzyl p-methoxyphenyl ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Dimethoxy-alpha-methyl-2-nitrobenzyl p-methoxyphenyl ether. Following Lipinski's Rule of Five, 4,5-Dimethoxy-alpha-methyl-2-nitrobenzyl p-methoxyphenyl ether has 0 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 4,5-Dimethoxy-alpha-methyl-2-nitrobenzyl p-methoxyphenyl ether?
The CAS number of 4,5-Dimethoxy-alpha-methyl-2-nitrobenzyl p-methoxyphenyl ether is 71172-14-0.
What is the molecular formula of 4,5-Dimethoxy-alpha-methyl-2-nitrobenzyl p-methoxyphenyl ether?
The molecular formula of 4,5-Dimethoxy-alpha-methyl-2-nitrobenzyl p-methoxyphenyl ether is C17H19NO6.
What is the molecular weight of 4,5-Dimethoxy-alpha-methyl-2-nitrobenzyl p-methoxyphenyl ether?
The molecular weight of 4,5-Dimethoxy-alpha-methyl-2-nitrobenzyl p-methoxyphenyl ether is 333.12 g/mol.
Where can I buy 4,5-Dimethoxy-alpha-methyl-2-nitrobenzyl p-methoxyphenyl ether?
You can request a quote for 4,5-Dimethoxy-alpha-methyl-2-nitrobenzyl p-methoxyphenyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dimethoxy-alpha-methyl-2-nitrobenzyl p-methoxyphenyl ether?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dimethoxy-alpha-methyl-2-nitrobenzyl p-methoxyphenyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.