Ethyl 1-oxo-1,2,3,4-tetrahydro-2,4,4-trimethyl-2-naphthalenecarboxylate
TL;DR: Ethyl 1-oxo-1,2,3,4-tetrahydro-2,4,4-trimethyl-2-naphthalenecarboxylate (CAS 31209-67-3) is a chemical compound with molecular formula C16H20O3 and molecular weight 260.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,4,4-trimethyl-1-oxo-3H-naphthalene-2-carboxylate
Also Known As: Ethyl 2,4,4-trimethyl-1-oxo-3H-naphthalene-2-carboxylate, ETHYL 1-OXO-1,2,3,4-TETRAHYDRO-2,4,4-TRIMETHYL-2-NAPHTHALENECARBOXYLATE, ethyl 2,4,4-trimethyl-1-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylate, 660-843-0, RefChem:593361
| Molecular Formula | C16H20O3 |
|---|---|
| Molecular Weight | 260.14 g/mol |
| LogP | 3.12 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.14124 |
| Heavy Atoms | 19 |
| Complexity | 530.55054 |
Chemical Identifiers
| CAS Number | 31209-67-3 |
|---|---|
| SMILES | CCOC(=O)C1(CC(C2=CC=CC=C2C1=O)(C)C)C |
Product Overview
Ethyl 1-oxo-1,2,3,4-tetrahydro-2,4,4-trimethyl-2-naphthalenecarboxylate (CAS 31209-67-3), with molecular formula C16H20O3 and molecular weight 260.14 g/mol. IUPAC: ethyl 2,4,4-trimethyl-1-oxo-3H-naphthalene-2-carboxylate.
Chemical Property Profile of Ethyl 1-oxo-1,2,3,4-tetrahydro-2,4,4-trimethyl-2-naphthalenecarboxylate
Property Insights of Ethyl 1-oxo-1,2,3,4-tetrahydro-2,4,4-trimethyl-2-naphthalenecarboxylate
The XLogP value of 3.12 indicates that Ethyl 1-oxo-1,2,3,4-tetrahydro-2,4,4-trimethyl-2-naphthalenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, Ethyl 1-oxo-1,2,3,4-tetrahydro-2,4,4-trimethyl-2-naphthalenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-oxo-1,2,3,4-tetrahydro-2,4,4-trimethyl-2-naphthalenecarboxylate 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 1-oxo-1,2,3,4-tetrahydro-2,4,4-trimethyl-2-naphthalenecarboxylate?
The CAS number of Ethyl 1-oxo-1,2,3,4-tetrahydro-2,4,4-trimethyl-2-naphthalenecarboxylate is 31209-67-3.
What is the molecular formula of Ethyl 1-oxo-1,2,3,4-tetrahydro-2,4,4-trimethyl-2-naphthalenecarboxylate?
The molecular formula of Ethyl 1-oxo-1,2,3,4-tetrahydro-2,4,4-trimethyl-2-naphthalenecarboxylate is C16H20O3.
What is the molecular weight of Ethyl 1-oxo-1,2,3,4-tetrahydro-2,4,4-trimethyl-2-naphthalenecarboxylate?
The molecular weight of Ethyl 1-oxo-1,2,3,4-tetrahydro-2,4,4-trimethyl-2-naphthalenecarboxylate is 260.14 g/mol.
Where can I buy Ethyl 1-oxo-1,2,3,4-tetrahydro-2,4,4-trimethyl-2-naphthalenecarboxylate?
You can request a quote for Ethyl 1-oxo-1,2,3,4-tetrahydro-2,4,4-trimethyl-2-naphthalenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-oxo-1,2,3,4-tetrahydro-2,4,4-trimethyl-2-naphthalenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-oxo-1,2,3,4-tetrahydro-2,4,4-trimethyl-2-naphthalenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.