Phenethyl 6,7-dihydroxynaphthalene-2-carboxylate
TL;DR: Phenethyl 6,7-dihydroxynaphthalene-2-carboxylate (CAS 169232-18-2) is a chemical compound with molecular formula C19H16O4 and molecular weight 308.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethyl 6,7-dihydroxynaphthalene-2-carboxylate
Also Known As: phenethyl 6,7-dihydroxynaphthalene-2-carboxylate, .beta.-Phenylethyl 6,7-dihydroxy-2-naphthoate, 2-phenylethyl 6,7-dihydroxynaphthalene-2-carboxylate, 6,7-Dihydroxy-2-naphthoic acid phenethyl ester, 6,7-Dihydroxy-naphthalene-2-carboxylic acid phenethyl ester
| Molecular Formula | C19H16O4 |
|---|---|
| Molecular Weight | 308.10 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.10486 |
| Heavy Atoms | 23 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 169232-18-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCOC(=O)C2=CC3=CC(=C(C=C3C=C2)O)O |
| InChIKey | MOGIFRACYVVYAG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenethyl 6,7-dihydroxynaphthalene-2-carboxylate (CAS 169232-18-2), with molecular formula C19H16O4 and molecular weight 308.10 g/mol. IUPAC: 2-phenylethyl 6,7-dihydroxynaphthalene-2-carboxylate.
Chemical Property Profile of Phenethyl 6,7-dihydroxynaphthalene-2-carboxylate
Property Insights of Phenethyl 6,7-dihydroxynaphthalene-2-carboxylate
The XLogP value of 4.3 indicates that Phenethyl 6,7-dihydroxynaphthalene-2-carboxylate 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 Phenethyl 6,7-dihydroxynaphthalene-2-carboxylate. Following Lipinski's Rule of Five, Phenethyl 6,7-dihydroxynaphthalene-2-carboxylate 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 Phenethyl 6,7-dihydroxynaphthalene-2-carboxylate?
The CAS number of Phenethyl 6,7-dihydroxynaphthalene-2-carboxylate is 169232-18-2.
What is the molecular formula of Phenethyl 6,7-dihydroxynaphthalene-2-carboxylate?
The molecular formula of Phenethyl 6,7-dihydroxynaphthalene-2-carboxylate is C19H16O4.
What is the molecular weight of Phenethyl 6,7-dihydroxynaphthalene-2-carboxylate?
The molecular weight of Phenethyl 6,7-dihydroxynaphthalene-2-carboxylate is 308.10 g/mol.
Where can I buy Phenethyl 6,7-dihydroxynaphthalene-2-carboxylate?
You can request a quote for Phenethyl 6,7-dihydroxynaphthalene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenethyl 6,7-dihydroxynaphthalene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Phenethyl 6,7-dihydroxynaphthalene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.