1-(3,4-Dimethoxyphenoxy)-2-methoxy-5-methyl-4-nitrobenzene
TL;DR: 1-(3,4-Dimethoxyphenoxy)-2-methoxy-5-methyl-4-nitrobenzene (CAS 38591-36-5) is a chemical compound with molecular formula C16H17NO6 and molecular weight 319.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dimethoxyphenoxy)-2-methoxy-5-methyl-4-nitrobenzene
Also Known As: KST-1B3827, 1-(3,4-dimethoxyphenoxy)-2-methoxy-5-methyl-4-nitrobenzene, 5-(3,4-Dimethyl-phenoxy)-4-methoxy-2-nitrotoluol
| Molecular Formula | C16H17NO6 |
|---|---|
| Molecular Weight | 319.11 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 82.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.1056 |
| Heavy Atoms | 23 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 38591-36-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1[N+](=O)[O-])OC)OC2=CC(=C(C=C2)OC)OC |
| InChIKey | KYULMJHUGKIQLS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(3,4-Dimethoxyphenoxy)-2-methoxy-5-methyl-4-nitrobenzene (CAS 38591-36-5), with molecular formula C16H17NO6 and molecular weight 319.11 g/mol. IUPAC: 1-(3,4-dimethoxyphenoxy)-2-methoxy-5-methyl-4-nitrobenzene.
Chemical Property Profile of 1-(3,4-Dimethoxyphenoxy)-2-methoxy-5-methyl-4-nitrobenzene
Property Insights of 1-(3,4-Dimethoxyphenoxy)-2-methoxy-5-methyl-4-nitrobenzene
The XLogP value of 3.6 indicates that 1-(3,4-Dimethoxyphenoxy)-2-methoxy-5-methyl-4-nitrobenzene 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 1-(3,4-Dimethoxyphenoxy)-2-methoxy-5-methyl-4-nitrobenzene. Following Lipinski's Rule of Five, 1-(3,4-Dimethoxyphenoxy)-2-methoxy-5-methyl-4-nitrobenzene 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 1-(3,4-Dimethoxyphenoxy)-2-methoxy-5-methyl-4-nitrobenzene?
The CAS number of 1-(3,4-Dimethoxyphenoxy)-2-methoxy-5-methyl-4-nitrobenzene is 38591-36-5.
What is the molecular formula of 1-(3,4-Dimethoxyphenoxy)-2-methoxy-5-methyl-4-nitrobenzene?
The molecular formula of 1-(3,4-Dimethoxyphenoxy)-2-methoxy-5-methyl-4-nitrobenzene is C16H17NO6.
What is the molecular weight of 1-(3,4-Dimethoxyphenoxy)-2-methoxy-5-methyl-4-nitrobenzene?
The molecular weight of 1-(3,4-Dimethoxyphenoxy)-2-methoxy-5-methyl-4-nitrobenzene is 319.11 g/mol.
Where can I buy 1-(3,4-Dimethoxyphenoxy)-2-methoxy-5-methyl-4-nitrobenzene?
You can request a quote for 1-(3,4-Dimethoxyphenoxy)-2-methoxy-5-methyl-4-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-Dimethoxyphenoxy)-2-methoxy-5-methyl-4-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Dimethoxyphenoxy)-2-methoxy-5-methyl-4-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.