2-Bromo-4,5-dimethoxyaniline
TL;DR: 2-Bromo-4,5-dimethoxyaniline (CAS 16791-41-6) is a chemical compound with molecular formula C8H10BrNO2 and molecular weight 230.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-4,5-dimethoxyaniline
Also Known As: 2-Bromo-4,5-dimethoxyaniline, Benzenamine, 2-bromo-4,5-dimethoxy-, NCIOpen2_002130, 2-bromo-4,5-dimethoxy-aniline, 2-Brom-4,5-dimethoxy-anilin
| Molecular Formula | C8H10BrNO2 |
|---|---|
| Molecular Weight | 230.99 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.98949 |
| Heavy Atoms | 12 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 16791-41-6 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)N)Br)OC |
| InChIKey | FZPJGMHMEFSPED-UHFFFAOYSA-N |
Product Overview
2-Bromo-4,5-dimethoxyaniline (CAS 16791-41-6), with molecular formula C8H10BrNO2 and molecular weight 230.99 g/mol. IUPAC: 2-bromo-4,5-dimethoxyaniline.
Chemical Property Profile of 2-Bromo-4,5-dimethoxyaniline
Property Insights of 2-Bromo-4,5-dimethoxyaniline
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-4,5-dimethoxyaniline. With a topological polar surface area (TPSA) of 44.5 Ų, 2-Bromo-4,5-dimethoxyaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-4,5-dimethoxyaniline 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 2-Bromo-4,5-dimethoxyaniline?
The CAS number of 2-Bromo-4,5-dimethoxyaniline is 16791-41-6.
What is the molecular formula of 2-Bromo-4,5-dimethoxyaniline?
The molecular formula of 2-Bromo-4,5-dimethoxyaniline is C8H10BrNO2.
What is the molecular weight of 2-Bromo-4,5-dimethoxyaniline?
The molecular weight of 2-Bromo-4,5-dimethoxyaniline is 230.99 g/mol.
Where can I buy 2-Bromo-4,5-dimethoxyaniline?
You can request a quote for 2-Bromo-4,5-dimethoxyaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-4,5-dimethoxyaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-4,5-dimethoxyaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.