Methyl 5-bromo-1-naphthoate
TL;DR: Methyl 5-bromo-1-naphthoate (CAS 59866-97-6) is a chemical compound with molecular formula C12H9BrO2 and molecular weight 263.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-bromonaphthalene-1-carboxylate
Also Known As: methyl 5-bromo-1-naphthoate, methyl 5-bromonaphthalene-1-carboxylate, methyl5-bromo-1-naphthoate, methyl 5-bromo-1-naphthate, Methyl 5-bromo-1-napthoate
| Molecular Formula | C12H9BrO2 |
|---|---|
| Molecular Weight | 263.98 g/mol |
| LogP | 3.3889 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 263.97858 |
| Heavy Atoms | 15 |
| Complexity | 520.0111 |
Chemical Identifiers
| CAS Number | 59866-97-6 |
|---|---|
| SMILES | COC(=O)C1=CC=CC2=C1C=CC=C2Br |
Product Overview
Methyl 5-bromo-1-naphthoate (CAS 59866-97-6), with molecular formula C12H9BrO2 and molecular weight 263.98 g/mol. IUPAC: methyl 5-bromonaphthalene-1-carboxylate.
Chemical Property Profile of Methyl 5-bromo-1-naphthoate
Property Insights of Methyl 5-bromo-1-naphthoate
The XLogP value of 3.3889 indicates that Methyl 5-bromo-1-naphthoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 5-bromo-1-naphthoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-bromo-1-naphthoate 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 Methyl 5-bromo-1-naphthoate?
The CAS number of Methyl 5-bromo-1-naphthoate is 59866-97-6.
What is the molecular formula of Methyl 5-bromo-1-naphthoate?
The molecular formula of Methyl 5-bromo-1-naphthoate is C12H9BrO2.
What is the molecular weight of Methyl 5-bromo-1-naphthoate?
The molecular weight of Methyl 5-bromo-1-naphthoate is 263.98 g/mol.
Where can I buy Methyl 5-bromo-1-naphthoate?
You can request a quote for Methyl 5-bromo-1-naphthoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-bromo-1-naphthoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-bromo-1-naphthoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.