3,4-Dimethoxy-5-methylaniline
TL;DR: 3,4-Dimethoxy-5-methylaniline (CAS 86232-53-3) is a chemical compound with molecular formula C9H13NO2 and molecular weight 167.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethoxy-5-methylaniline
Also Known As: 3,4-dimethoxy-5-methylaniline, 3-Methyl-4,5-dimethoxyaniline, benzenamine, 3,4-dimethoxy-5-methyl-, InChI=1/C9H13NO2/c1-6-4-7(10)5-8(11-2)9(6)12-3/h4-5H,10H2,1-3H
| Molecular Formula | C9H13NO2 |
|---|---|
| Molecular Weight | 167.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 167.09464 |
| Heavy Atoms | 12 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 86232-53-3 |
|---|---|
| SMILES | CC1=CC(=CC(=C1OC)OC)N |
| InChIKey | IZTWKHOMRDRXFU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Dimethoxy-5-methylaniline (CAS 86232-53-3), with molecular formula C9H13NO2 and molecular weight 167.09 g/mol. IUPAC: 3,4-dimethoxy-5-methylaniline.
Chemical Property Profile of 3,4-Dimethoxy-5-methylaniline
Property Insights of 3,4-Dimethoxy-5-methylaniline
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dimethoxy-5-methylaniline. With a topological polar surface area (TPSA) of 44.5 Ų, 3,4-Dimethoxy-5-methylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dimethoxy-5-methylaniline has 1 hydrogen bond donor(s) and 3 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 3,4-Dimethoxy-5-methylaniline?
The CAS number of 3,4-Dimethoxy-5-methylaniline is 86232-53-3.
What is the molecular formula of 3,4-Dimethoxy-5-methylaniline?
The molecular formula of 3,4-Dimethoxy-5-methylaniline is C9H13NO2.
What is the molecular weight of 3,4-Dimethoxy-5-methylaniline?
The molecular weight of 3,4-Dimethoxy-5-methylaniline is 167.09 g/mol.
Where can I buy 3,4-Dimethoxy-5-methylaniline?
You can request a quote for 3,4-Dimethoxy-5-methylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dimethoxy-5-methylaniline?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dimethoxy-5-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.