2-Bromo-1,4-dimethoxy-3-methylnaphthalene
TL;DR: 2-Bromo-1,4-dimethoxy-3-methylnaphthalene (CAS 5399-30-4) is a chemical compound with molecular formula C13H13BrO2 and molecular weight 280.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1,4-dimethoxy-3-methylnaphthalene
Also Known As: 2-bromo-1,4-dimethoxy-3-methylnaphthalene, 2-Bromo-1,4-dimethoxy-3-methyl-naphthalene, Naphthalene,2-bromo-1,4-dimethoxy-3-methyl-, 1,4-Dimethoxy-2-bromo-3-methylnaphthalene, 2-bromo-1.4-dimethoxy-3-methylnaphthalene
| Molecular Formula | C13H13BrO2 |
|---|---|
| Molecular Weight | 280.01 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.0099 |
| Heavy Atoms | 16 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 5399-30-4 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2C(=C1Br)OC)OC |
| InChIKey | PWXIIJPKDYZUBN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromo-1,4-dimethoxy-3-methylnaphthalene (CAS 5399-30-4), with molecular formula C13H13BrO2 and molecular weight 280.01 g/mol. IUPAC: 2-bromo-1,4-dimethoxy-3-methylnaphthalene.
Chemical Property Profile of 2-Bromo-1,4-dimethoxy-3-methylnaphthalene
Property Insights of 2-Bromo-1,4-dimethoxy-3-methylnaphthalene
The XLogP value of 4.2 indicates that 2-Bromo-1,4-dimethoxy-3-methylnaphthalene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 2-Bromo-1,4-dimethoxy-3-methylnaphthalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-1,4-dimethoxy-3-methylnaphthalene has 0 hydrogen bond donor(s) and 2 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-1,4-dimethoxy-3-methylnaphthalene?
The CAS number of 2-Bromo-1,4-dimethoxy-3-methylnaphthalene is 5399-30-4.
What is the molecular formula of 2-Bromo-1,4-dimethoxy-3-methylnaphthalene?
The molecular formula of 2-Bromo-1,4-dimethoxy-3-methylnaphthalene is C13H13BrO2.
What is the molecular weight of 2-Bromo-1,4-dimethoxy-3-methylnaphthalene?
The molecular weight of 2-Bromo-1,4-dimethoxy-3-methylnaphthalene is 280.01 g/mol.
Where can I buy 2-Bromo-1,4-dimethoxy-3-methylnaphthalene?
You can request a quote for 2-Bromo-1,4-dimethoxy-3-methylnaphthalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-1,4-dimethoxy-3-methylnaphthalene?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-1,4-dimethoxy-3-methylnaphthalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.