Methyl 3-Methoxy-2-naphthoate
TL;DR: Methyl 3-Methoxy-2-naphthoate (CAS 13041-60-6) is a chemical compound with molecular formula C13H12O3 and molecular weight 216.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-methoxynaphthalene-2-carboxylate
Also Known As: Methyl 3-methoxy-2-naphthoate, methyl 3-methoxynaphthalene-2-carboxylate, methyl-3-methoxy-2-naphthoat, methyl 2-methoxy-3-naphthoate, methyl 3-methoxyl-2-naphthoate
| Molecular Formula | C13H12O3 |
|---|---|
| Molecular Weight | 216.08 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.07864 |
| Heavy Atoms | 16 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 13041-60-6 |
|---|---|
| SMILES | COC1=CC2=CC=CC=C2C=C1C(=O)OC |
| InChIKey | MPLSAOVNAXJHHI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-Methoxy-2-naphthoate (CAS 13041-60-6), with molecular formula C13H12O3 and molecular weight 216.08 g/mol. IUPAC: methyl 3-methoxynaphthalene-2-carboxylate.
Chemical Property Profile of Methyl 3-Methoxy-2-naphthoate
Property Insights of Methyl 3-Methoxy-2-naphthoate
The XLogP value of 3.3 indicates that Methyl 3-Methoxy-2-naphthoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Methyl 3-Methoxy-2-naphthoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-Methoxy-2-naphthoate has 0 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 Methyl 3-Methoxy-2-naphthoate?
The CAS number of Methyl 3-Methoxy-2-naphthoate is 13041-60-6.
What is the molecular formula of Methyl 3-Methoxy-2-naphthoate?
The molecular formula of Methyl 3-Methoxy-2-naphthoate is C13H12O3.
What is the molecular weight of Methyl 3-Methoxy-2-naphthoate?
The molecular weight of Methyl 3-Methoxy-2-naphthoate is 216.08 g/mol.
Where can I buy Methyl 3-Methoxy-2-naphthoate?
You can request a quote for Methyl 3-Methoxy-2-naphthoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-Methoxy-2-naphthoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-Methoxy-2-naphthoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.