Methyl 8-hydroxy-1-naphthoate
TL;DR: Methyl 8-hydroxy-1-naphthoate (CAS 5247-86-9) is a chemical compound with molecular formula C12H10O3 and molecular weight 202.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 8-hydroxynaphthalene-1-carboxylate
Also Known As: Methyl 8-hydroxy-1-naphthoate, methyl 8-hydroxynaphthalene-1-carboxylate, 8-Hydroxy-naphthalene-1-carboxylic acid methyl ester, Methyl 8-naphthol-1-carboxylate, Methyl 8-hydroxy-1-naphthoate #
| Molecular Formula | C12H10O3 |
|---|---|
| Molecular Weight | 202.06 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.06299 |
| Heavy Atoms | 15 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 5247-86-9 |
|---|---|
| SMILES | COC(=O)C1=CC=CC2=C1C(=CC=C2)O |
| InChIKey | DSFFPEOQMHEQIH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 8-hydroxy-1-naphthoate (CAS 5247-86-9), with molecular formula C12H10O3 and molecular weight 202.06 g/mol. IUPAC: methyl 8-hydroxynaphthalene-1-carboxylate.
Chemical Property Profile of Methyl 8-hydroxy-1-naphthoate
Property Insights of Methyl 8-hydroxy-1-naphthoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 8-hydroxy-1-naphthoate. With a topological polar surface area (TPSA) of 46.5 Ų, Methyl 8-hydroxy-1-naphthoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 8-hydroxy-1-naphthoate has 1 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 8-hydroxy-1-naphthoate?
The CAS number of Methyl 8-hydroxy-1-naphthoate is 5247-86-9.
What is the molecular formula of Methyl 8-hydroxy-1-naphthoate?
The molecular formula of Methyl 8-hydroxy-1-naphthoate is C12H10O3.
What is the molecular weight of Methyl 8-hydroxy-1-naphthoate?
The molecular weight of Methyl 8-hydroxy-1-naphthoate is 202.06 g/mol.
Where can I buy Methyl 8-hydroxy-1-naphthoate?
You can request a quote for Methyl 8-hydroxy-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 8-hydroxy-1-naphthoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 8-hydroxy-1-naphthoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.