2-Naphthalenecarboxylic acid, 1,4-dihydroxy-, phenyl ester
TL;DR: 2-Naphthalenecarboxylic acid, 1,4-dihydroxy-, phenyl ester (CAS 54978-55-1) is a chemical compound with molecular formula C17H12O4 and molecular weight 280.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 1,4-dihydroxynaphthalene-2-carboxylate
Also Known As: Phenyl 1,4-dihydroxy-2-naphthoate, phenyl 1,4-dihydroxynaphthalene-2-carboxylate, Phenyl1,4-dihydroxy-2-naphthoate, Dihydroxynaphtoicacidphenylester, 1,4-dihydroxy-2-phenylnaphthoate
| Molecular Formula | C17H12O4 |
|---|---|
| Molecular Weight | 280.07 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.07355 |
| Heavy Atoms | 21 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 54978-55-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)C2=C(C3=CC=CC=C3C(=C2)O)O |
| InChIKey | XDUXGEPGVNWEBQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Naphthalenecarboxylic acid, 1,4-dihydroxy-, phenyl ester (CAS 54978-55-1), with molecular formula C17H12O4 and molecular weight 280.07 g/mol. IUPAC: phenyl 1,4-dihydroxynaphthalene-2-carboxylate.
Chemical Property Profile of 2-Naphthalenecarboxylic acid, 1,4-dihydroxy-, phenyl ester
Property Insights of 2-Naphthalenecarboxylic acid, 1,4-dihydroxy-, phenyl ester
The XLogP value of 4.4 indicates that 2-Naphthalenecarboxylic acid, 1,4-dihydroxy-, phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Naphthalenecarboxylic acid, 1,4-dihydroxy-, phenyl ester. Following Lipinski's Rule of Five, 2-Naphthalenecarboxylic acid, 1,4-dihydroxy-, phenyl ester 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 2-Naphthalenecarboxylic acid, 1,4-dihydroxy-, phenyl ester?
The CAS number of 2-Naphthalenecarboxylic acid, 1,4-dihydroxy-, phenyl ester is 54978-55-1.
What is the molecular formula of 2-Naphthalenecarboxylic acid, 1,4-dihydroxy-, phenyl ester?
The molecular formula of 2-Naphthalenecarboxylic acid, 1,4-dihydroxy-, phenyl ester is C17H12O4.
What is the molecular weight of 2-Naphthalenecarboxylic acid, 1,4-dihydroxy-, phenyl ester?
The molecular weight of 2-Naphthalenecarboxylic acid, 1,4-dihydroxy-, phenyl ester is 280.07 g/mol.
Where can I buy 2-Naphthalenecarboxylic acid, 1,4-dihydroxy-, phenyl ester?
You can request a quote for 2-Naphthalenecarboxylic acid, 1,4-dihydroxy-, phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Naphthalenecarboxylic acid, 1,4-dihydroxy-, phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Naphthalenecarboxylic acid, 1,4-dihydroxy-, phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.