Ethyl 7-oxo-1,2,3,4,5,6-hexahydronaphthalene-4a-carboxylate
TL;DR: Ethyl 7-oxo-1,2,3,4,5,6-hexahydronaphthalene-4a-carboxylate (CAS 7478-39-9) is a chemical compound with molecular formula C13H18O3 and molecular weight 222.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 7-oxo-1,2,3,4,5,6-hexahydronaphthalene-4a-carboxylate
Also Known As: SRDFWBNFGXTHOY-UHFFFAOYSA-, ethyl 7-oxo-1,2,3,4,5,6-hexahydronaphthalene-4a-carboxylate, ethyl 2-oxo-3,4,5,6,7,8-hexahydronaphthalene-4a-carboxylate, Ethyl 7-oxo-1,2,3,4,4a,5,6,7-octahydronaphthalene-4a-carboxylate, 4a(2H)-Naphthalenecarboxylic acid, 1,3,4,5,6,7-hexahydro-7-oxo-, ethyl ester
| Molecular Formula | C13H18O3 |
|---|---|
| Molecular Weight | 222.13 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.1256 |
| Heavy Atoms | 16 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 7478-39-9 |
|---|---|
| SMILES | CCOC(=O)C12CCCCC1=CC(=O)CC2 |
| InChIKey | SRDFWBNFGXTHOY-UHFFFAOYSA-N |
Product Overview
Ethyl 7-oxo-1,2,3,4,5,6-hexahydronaphthalene-4a-carboxylate (CAS 7478-39-9), with molecular formula C13H18O3 and molecular weight 222.13 g/mol. IUPAC: ethyl 7-oxo-1,2,3,4,5,6-hexahydronaphthalene-4a-carboxylate.
Chemical Property Profile of Ethyl 7-oxo-1,2,3,4,5,6-hexahydronaphthalene-4a-carboxylate
Property Insights of Ethyl 7-oxo-1,2,3,4,5,6-hexahydronaphthalene-4a-carboxylate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 7-oxo-1,2,3,4,5,6-hexahydronaphthalene-4a-carboxylate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 7-oxo-1,2,3,4,5,6-hexahydronaphthalene-4a-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 7-oxo-1,2,3,4,5,6-hexahydronaphthalene-4a-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 7-oxo-1,2,3,4,5,6-hexahydronaphthalene-4a-carboxylate?
The CAS number of Ethyl 7-oxo-1,2,3,4,5,6-hexahydronaphthalene-4a-carboxylate is 7478-39-9.
What is the molecular formula of Ethyl 7-oxo-1,2,3,4,5,6-hexahydronaphthalene-4a-carboxylate?
The molecular formula of Ethyl 7-oxo-1,2,3,4,5,6-hexahydronaphthalene-4a-carboxylate is C13H18O3.
What is the molecular weight of Ethyl 7-oxo-1,2,3,4,5,6-hexahydronaphthalene-4a-carboxylate?
The molecular weight of Ethyl 7-oxo-1,2,3,4,5,6-hexahydronaphthalene-4a-carboxylate is 222.13 g/mol.
Where can I buy Ethyl 7-oxo-1,2,3,4,5,6-hexahydronaphthalene-4a-carboxylate?
You can request a quote for Ethyl 7-oxo-1,2,3,4,5,6-hexahydronaphthalene-4a-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 7-oxo-1,2,3,4,5,6-hexahydronaphthalene-4a-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 7-oxo-1,2,3,4,5,6-hexahydronaphthalene-4a-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.