Ethyl 4-oxo-1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate
TL;DR: Ethyl 4-oxo-1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate (CAS 107550-68-5) is a chemical compound with molecular formula C19H18O3 and molecular weight 294.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-oxo-1-phenyl-2,3-dihydro-1H-naphthalene-2-carboxylate
Also Known As: NCIOpen2_002174, ethyl 4-oxo-1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate, ethyl 4-oxo-1-phenyl-2,3-dihydro-1H-naphthalene-2-carboxylate
| Molecular Formula | C19H18O3 |
|---|---|
| Molecular Weight | 294.13 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.12558 |
| Heavy Atoms | 22 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 107550-68-5 |
|---|---|
| SMILES | CCOC(=O)C1CC(=O)C2=CC=CC=C2C1C3=CC=CC=C3 |
| InChIKey | LAKGJAYWSVCIGK-UHFFFAOYSA-N |
Product Overview
Ethyl 4-oxo-1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate (CAS 107550-68-5), with molecular formula C19H18O3 and molecular weight 294.13 g/mol. IUPAC: ethyl 4-oxo-1-phenyl-2,3-dihydro-1H-naphthalene-2-carboxylate.
Chemical Property Profile of Ethyl 4-oxo-1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate
Property Insights of Ethyl 4-oxo-1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate
The XLogP value of 3.3 indicates that Ethyl 4-oxo-1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 4-oxo-1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-oxo-1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate has 0 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 Ethyl 4-oxo-1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate?
The CAS number of Ethyl 4-oxo-1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate is 107550-68-5.
What is the molecular formula of Ethyl 4-oxo-1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate?
The molecular formula of Ethyl 4-oxo-1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate is C19H18O3.
What is the molecular weight of Ethyl 4-oxo-1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate?
The molecular weight of Ethyl 4-oxo-1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate is 294.13 g/mol.
Where can I buy Ethyl 4-oxo-1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate?
You can request a quote for Ethyl 4-oxo-1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-oxo-1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-oxo-1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.