ethyl 6-oxo-2,3,4,5-tetrahydro-1H-indene-3a-carboxylate
TL;DR: ethyl 6-oxo-2,3,4,5-tetrahydro-1H-indene-3a-carboxylate (CAS 65969-71-3) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-oxo-2,3,4,5-tetrahydro-1H-indene-3a-carboxylate
Also Known As: starbld0012743, ethyl 6-oxo-2,3,4,5-tetrahydro-1H-indene-3a-carboxylate, ethyl 6-oxo-1,2,3,4,5,6-hexahydro-3ah-indene-3a-carboxylate, ethyl 6-oxo-2,3,3a,4,5,6-hexahydro-1H-indene-3a-carboxylate, 3aH-Indene-3a-carboxylicacid, 1,2,3,4,5,6-hexahydro-6-oxo-, ethyl ester
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 65969-71-3 |
|---|---|
| SMILES | CCOC(=O)C12CCCC1=CC(=O)CC2 |
| InChIKey | BNROREXUPUDIJE-UHFFFAOYSA-N |
Product Overview
ethyl 6-oxo-2,3,4,5-tetrahydro-1H-indene-3a-carboxylate (CAS 65969-71-3), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: ethyl 6-oxo-2,3,4,5-tetrahydro-1H-indene-3a-carboxylate.
Chemical Property Profile of ethyl 6-oxo-2,3,4,5-tetrahydro-1H-indene-3a-carboxylate
Property Insights of ethyl 6-oxo-2,3,4,5-tetrahydro-1H-indene-3a-carboxylate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 6-oxo-2,3,4,5-tetrahydro-1H-indene-3a-carboxylate. With a topological polar surface area (TPSA) of 43.4 Ų, ethyl 6-oxo-2,3,4,5-tetrahydro-1H-indene-3a-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 6-oxo-2,3,4,5-tetrahydro-1H-indene-3a-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 6-oxo-2,3,4,5-tetrahydro-1H-indene-3a-carboxylate?
The CAS number of ethyl 6-oxo-2,3,4,5-tetrahydro-1H-indene-3a-carboxylate is 65969-71-3.
What is the molecular formula of ethyl 6-oxo-2,3,4,5-tetrahydro-1H-indene-3a-carboxylate?
The molecular formula of ethyl 6-oxo-2,3,4,5-tetrahydro-1H-indene-3a-carboxylate is C12H16O3.
What is the molecular weight of ethyl 6-oxo-2,3,4,5-tetrahydro-1H-indene-3a-carboxylate?
The molecular weight of ethyl 6-oxo-2,3,4,5-tetrahydro-1H-indene-3a-carboxylate is 208.11 g/mol.
Where can I buy ethyl 6-oxo-2,3,4,5-tetrahydro-1H-indene-3a-carboxylate?
You can request a quote for ethyl 6-oxo-2,3,4,5-tetrahydro-1H-indene-3a-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 6-oxo-2,3,4,5-tetrahydro-1H-indene-3a-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-oxo-2,3,4,5-tetrahydro-1H-indene-3a-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.