萘甲酸甲酯
TL;DR: 萘甲酸甲酯 (CAS 2459-24-7) is a chemical compound with molecular formula C12H10O2 and molecular weight 186.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
萘甲酸甲酯
methyl naphthalene-1-carboxylate
Also Known As: Methyl 1-naphthoate, 1-Naphthoic Acid Methyl Ester, methyl naphthalene-1-carboxylate, Methyl naphthoate, methylnaphthoate
| Molecular Formula | C12H10O2 |
|---|---|
| Molecular Weight | 186.07 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.06808 |
| Heavy Atoms | 14 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 2459-24-7 |
|---|---|
| SMILES | COC(=O)C1=CC=CC2=CC=CC=C21 |
| InChIKey | HMRROBKAACRWBP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
萘甲酸甲酯 (CAS 2459-24-7), with molecular formula C12H10O2 and molecular weight 186.07 g/mol. IUPAC: methyl naphthalene-1-carboxylate.
Chemical Property Profile of 萘甲酸甲酯
Property Insights of 萘甲酸甲酯
The XLogP value of 3.4 indicates that 萘甲酸甲酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 萘甲酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 萘甲酸甲酯 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 萘甲酸甲酯?
The CAS number of 萘甲酸甲酯 is 2459-24-7.
What is the molecular formula of 萘甲酸甲酯?
The molecular formula of 萘甲酸甲酯 is C12H10O2.
What is the molecular weight of 萘甲酸甲酯?
The molecular weight of 萘甲酸甲酯 is 186.07 g/mol.
Where can I buy 萘甲酸甲酯?
You can request a quote for 萘甲酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 萘甲酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 萘甲酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.