Methyl 1,4-dihydroxy-2-naphthoate
TL;DR: Methyl 1,4-dihydroxy-2-naphthoate (CAS 77060-74-3) is a chemical compound with molecular formula C12H10O4 and molecular weight 218.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1,4-dihydroxynaphthalene-2-carboxylate
Also Known As: Methyl 1,4-dihydroxy-2-naphthoate, methyl 1,4-dihydroxynaphthalene-2-carboxylate, Methyl1,4-dihydroxy-2-naphthoate, Methyl 1,4-dihydroxy-2-naphthoate #, 2-Naphthalenecarboxylic acid, 1,4-dihydroxy-, methyl ester
| Molecular Formula | C12H10O4 |
|---|---|
| Molecular Weight | 218.06 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.0579 |
| Heavy Atoms | 16 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 77060-74-3 |
|---|---|
| SMILES | COC(=O)C1=C(C2=CC=CC=C2C(=C1)O)O |
| InChIKey | CRMAPJSLKLVFBT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 1,4-dihydroxy-2-naphthoate (CAS 77060-74-3), with molecular formula C12H10O4 and molecular weight 218.06 g/mol. IUPAC: methyl 1,4-dihydroxynaphthalene-2-carboxylate.
Chemical Property Profile of Methyl 1,4-dihydroxy-2-naphthoate
Property Insights of Methyl 1,4-dihydroxy-2-naphthoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1,4-dihydroxy-2-naphthoate. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 1,4-dihydroxy-2-naphthoate. Following Lipinski's Rule of Five, Methyl 1,4-dihydroxy-2-naphthoate has 2 hydrogen bond donor(s) and 4 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 1,4-dihydroxy-2-naphthoate?
The CAS number of Methyl 1,4-dihydroxy-2-naphthoate is 77060-74-3.
What is the molecular formula of Methyl 1,4-dihydroxy-2-naphthoate?
The molecular formula of Methyl 1,4-dihydroxy-2-naphthoate is C12H10O4.
What is the molecular weight of Methyl 1,4-dihydroxy-2-naphthoate?
The molecular weight of Methyl 1,4-dihydroxy-2-naphthoate is 218.06 g/mol.
Where can I buy Methyl 1,4-dihydroxy-2-naphthoate?
You can request a quote for Methyl 1,4-dihydroxy-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 1,4-dihydroxy-2-naphthoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1,4-dihydroxy-2-naphthoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.