ethyl 4a,7,7-trimethyl-2-oxo-4,5,6,8-tetrahydro-3H-naphthalene-1-carboxylate
TL;DR: ethyl 4a,7,7-trimethyl-2-oxo-4,5,6,8-tetrahydro-3H-naphthalene-1-carboxylate (CAS 35482-84-9) is a chemical compound with molecular formula C16H24O3 and molecular weight 264.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4a,7,7-trimethyl-2-oxo-4,5,6,8-tetrahydro-3H-naphthalene-1-carboxylate
Also Known As: ethyl 4a,7,7-trimethyl-2-oxo-4,5,6,8-tetrahydro-3H-naphthalene-1-carboxylate, ethyl 4a,7,7-trimethyl-2-oxo-4,5,6,8-tetrahydro-3H-naphthale, Ethyl 4a,7,7-trimethyl-2-oxo-2,3,4,4a,5,6,7,8-octahydronaphthalene-1-carboxylate
| Molecular Formula | C16H24O3 |
|---|---|
| Molecular Weight | 264.17 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.17255 |
| Heavy Atoms | 19 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 35482-84-9 |
|---|---|
| SMILES | CCOC(=O)C1=C2CC(CCC2(CCC1=O)C)(C)C |
| InChIKey | DFOMFGLTELLGGG-UHFFFAOYSA-N |
Product Overview
ethyl 4a,7,7-trimethyl-2-oxo-4,5,6,8-tetrahydro-3H-naphthalene-1-carboxylate (CAS 35482-84-9), with molecular formula C16H24O3 and molecular weight 264.17 g/mol. IUPAC: ethyl 4a,7,7-trimethyl-2-oxo-4,5,6,8-tetrahydro-3H-naphthalene-1-carboxylate.
Chemical Property Profile of ethyl 4a,7,7-trimethyl-2-oxo-4,5,6,8-tetrahydro-3H-naphthalene-1-carboxylate
Property Insights of ethyl 4a,7,7-trimethyl-2-oxo-4,5,6,8-tetrahydro-3H-naphthalene-1-carboxylate
The XLogP value of 3.5 indicates that ethyl 4a,7,7-trimethyl-2-oxo-4,5,6,8-tetrahydro-3H-naphthalene-1-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 4a,7,7-trimethyl-2-oxo-4,5,6,8-tetrahydro-3H-naphthalene-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 4a,7,7-trimethyl-2-oxo-4,5,6,8-tetrahydro-3H-naphthalene-1-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 4a,7,7-trimethyl-2-oxo-4,5,6,8-tetrahydro-3H-naphthalene-1-carboxylate?
The CAS number of ethyl 4a,7,7-trimethyl-2-oxo-4,5,6,8-tetrahydro-3H-naphthalene-1-carboxylate is 35482-84-9.
What is the molecular formula of ethyl 4a,7,7-trimethyl-2-oxo-4,5,6,8-tetrahydro-3H-naphthalene-1-carboxylate?
The molecular formula of ethyl 4a,7,7-trimethyl-2-oxo-4,5,6,8-tetrahydro-3H-naphthalene-1-carboxylate is C16H24O3.
What is the molecular weight of ethyl 4a,7,7-trimethyl-2-oxo-4,5,6,8-tetrahydro-3H-naphthalene-1-carboxylate?
The molecular weight of ethyl 4a,7,7-trimethyl-2-oxo-4,5,6,8-tetrahydro-3H-naphthalene-1-carboxylate is 264.17 g/mol.
Where can I buy ethyl 4a,7,7-trimethyl-2-oxo-4,5,6,8-tetrahydro-3H-naphthalene-1-carboxylate?
You can request a quote for ethyl 4a,7,7-trimethyl-2-oxo-4,5,6,8-tetrahydro-3H-naphthalene-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4a,7,7-trimethyl-2-oxo-4,5,6,8-tetrahydro-3H-naphthalene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4a,7,7-trimethyl-2-oxo-4,5,6,8-tetrahydro-3H-naphthalene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.