2-Bromo-3-methyl-4,5,8-trimethoxy-1-naphthol
TL;DR: 2-Bromo-3-methyl-4,5,8-trimethoxy-1-naphthol (CAS 101459-63-6) is a chemical compound with molecular formula C14H15BrO4 and molecular weight 326.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-4,5,8-trimethoxy-3-methylnaphthalen-1-ol
Also Known As: 2-Bromo-3-methyl-4,5,8-trimethoxy-1-naphthol, 2-Brom-4,5,8-trimethoxy-3-methyl-1-naphthol, 2-Bromo-4,5,8-trimethoxy-3-methyl-1-naphthol #, 2-bromo-4,5,8-trimethoxy-3-methylnaphthalen-1-ol, 1,2-Benzenediol, 4-(2-butenyl)-, diacetate, (Z)-
| Molecular Formula | C14H15BrO4 |
|---|---|
| Molecular Weight | 326.02 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.01538 |
| Heavy Atoms | 19 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 101459-63-6 |
|---|---|
| SMILES | CC1=C(C2=C(C=CC(=C2C(=C1Br)O)OC)OC)OC |
| InChIKey | ZSAQNPUYAVTRJK-UHFFFAOYSA-N |
Product Overview
2-Bromo-3-methyl-4,5,8-trimethoxy-1-naphthol (CAS 101459-63-6), with molecular formula C14H15BrO4 and molecular weight 326.02 g/mol. IUPAC: 2-bromo-4,5,8-trimethoxy-3-methylnaphthalen-1-ol.
Chemical Property Profile of 2-Bromo-3-methyl-4,5,8-trimethoxy-1-naphthol
Property Insights of 2-Bromo-3-methyl-4,5,8-trimethoxy-1-naphthol
The XLogP value of 3.8 indicates that 2-Bromo-3-methyl-4,5,8-trimethoxy-1-naphthol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.9 Ų, 2-Bromo-3-methyl-4,5,8-trimethoxy-1-naphthol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-3-methyl-4,5,8-trimethoxy-1-naphthol has 1 hydrogen bond donor(s) and 4 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-3-methyl-4,5,8-trimethoxy-1-naphthol?
The CAS number of 2-Bromo-3-methyl-4,5,8-trimethoxy-1-naphthol is 101459-63-6.
What is the molecular formula of 2-Bromo-3-methyl-4,5,8-trimethoxy-1-naphthol?
The molecular formula of 2-Bromo-3-methyl-4,5,8-trimethoxy-1-naphthol is C14H15BrO4.
What is the molecular weight of 2-Bromo-3-methyl-4,5,8-trimethoxy-1-naphthol?
The molecular weight of 2-Bromo-3-methyl-4,5,8-trimethoxy-1-naphthol is 326.02 g/mol.
Where can I buy 2-Bromo-3-methyl-4,5,8-trimethoxy-1-naphthol?
You can request a quote for 2-Bromo-3-methyl-4,5,8-trimethoxy-1-naphthol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-3-methyl-4,5,8-trimethoxy-1-naphthol?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-3-methyl-4,5,8-trimethoxy-1-naphthol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.