2-Bromo-3-methyl-1,4-naphthalenediol
TL;DR: 2-Bromo-3-methyl-1,4-naphthalenediol (CAS 39055-47-5) is a chemical compound with molecular formula C11H9BrO2 and molecular weight 251.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-3-methylnaphthalene-1,4-diol
Also Known As: 2-bromo-3-methylnaphthalene-1,4-diol, 2-Bromo-3-methyl-1,4-naphthalenediol, 1,4-Naphthalenediol, 2-bromo-3-methyl-, 1,4-Naphthalenediol,2-bromo-3-methyl, 3-Bromo-2-methyl-1,4-naphthalenediol
| Molecular Formula | C11H9BrO2 |
|---|---|
| Molecular Weight | 251.98 g/mol |
| LogP | 3.32192 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 251.97859 |
| Heavy Atoms | 14 |
| Complexity | 459.60394 |
Chemical Identifiers
| CAS Number | 39055-47-5 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2C(=C1Br)O)O |
Product Overview
2-Bromo-3-methyl-1,4-naphthalenediol (CAS 39055-47-5), with molecular formula C11H9BrO2 and molecular weight 251.98 g/mol. IUPAC: 2-bromo-3-methylnaphthalene-1,4-diol.
Chemical Property Profile of 2-Bromo-3-methyl-1,4-naphthalenediol
Property Insights of 2-Bromo-3-methyl-1,4-naphthalenediol
The XLogP value of 3.32192 indicates that 2-Bromo-3-methyl-1,4-naphthalenediol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.46 Ų, 2-Bromo-3-methyl-1,4-naphthalenediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-3-methyl-1,4-naphthalenediol has 2 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-3-methyl-1,4-naphthalenediol?
The CAS number of 2-Bromo-3-methyl-1,4-naphthalenediol is 39055-47-5.
What is the molecular formula of 2-Bromo-3-methyl-1,4-naphthalenediol?
The molecular formula of 2-Bromo-3-methyl-1,4-naphthalenediol is C11H9BrO2.
What is the molecular weight of 2-Bromo-3-methyl-1,4-naphthalenediol?
The molecular weight of 2-Bromo-3-methyl-1,4-naphthalenediol is 251.98 g/mol.
Where can I buy 2-Bromo-3-methyl-1,4-naphthalenediol?
You can request a quote for 2-Bromo-3-methyl-1,4-naphthalenediol 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-1,4-naphthalenediol?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-3-methyl-1,4-naphthalenediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.