(3aS,6R,7aS)-6-Ethyl-2,3,3a,6,7,7a-hexahydro-1-oxo-1H-indene-4-carboxylic acid
TL;DR: (3aS,6R,7aS)-6-Ethyl-2,3,3a,6,7,7a-hexahydro-1-oxo-1H-indene-4-carboxylic acid (CAS 62251-98-3) 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.
(3aS,6R,7aS)-6-ethyl-1-oxo-2,3,3a,6,7,7a-hexahydroindene-4-carboxylic acid
Also Known As: Coronafacic acid, (3aS,6R,7aS)-6-ethyl-1-oxo-2,3,3a,6,7,7a-hexahydroindene-4-carboxylic acid, (3AS,6R,7aS)-6-ethyl-1-oxo-2,3,3a,6,7,7a-hexahydro-1H-indene-4-carboxylic acid, 6-Ethyl-2,3,3aS,6R,7,7aS-hexahydro-1-oxo-1H-indene-4-Carboxylic acid, 1h-indene-4-carboxylic acid, 6-ethyl-2,3,3a,6,7,7a-hexahydro-1-oxo-,(3as,6r,7as)-
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 62251-98-3 |
|---|---|
| SMILES | CC[C@@H]1C[C@H]2[C@H](CCC2=O)C(=C1)C(=O)O |
| InChIKey | ONMAUQRMJXNSCG-VGMNWLOBSA-N |
Product Overview
(3aS,6R,7aS)-6-Ethyl-2,3,3a,6,7,7a-hexahydro-1-oxo-1H-indene-4-carboxylic acid (CAS 62251-98-3), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: (3aS,6R,7aS)-6-ethyl-1-oxo-2,3,3a,6,7,7a-hexahydroindene-4-carboxylic acid.
Chemical Property Profile of (3aS,6R,7aS)-6-Ethyl-2,3,3a,6,7,7a-hexahydro-1-oxo-1H-indene-4-carboxylic acid
Property Insights of (3aS,6R,7aS)-6-Ethyl-2,3,3a,6,7,7a-hexahydro-1-oxo-1H-indene-4-carboxylic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3aS,6R,7aS)-6-Ethyl-2,3,3a,6,7,7a-hexahydro-1-oxo-1H-indene-4-carboxylic acid. With a topological polar surface area (TPSA) of 54.4 Ų, (3aS,6R,7aS)-6-Ethyl-2,3,3a,6,7,7a-hexahydro-1-oxo-1H-indene-4-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3aS,6R,7aS)-6-Ethyl-2,3,3a,6,7,7a-hexahydro-1-oxo-1H-indene-4-carboxylic acid has 1 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 (3aS,6R,7aS)-6-Ethyl-2,3,3a,6,7,7a-hexahydro-1-oxo-1H-indene-4-carboxylic acid?
The CAS number of (3aS,6R,7aS)-6-Ethyl-2,3,3a,6,7,7a-hexahydro-1-oxo-1H-indene-4-carboxylic acid is 62251-98-3.
What is the molecular formula of (3aS,6R,7aS)-6-Ethyl-2,3,3a,6,7,7a-hexahydro-1-oxo-1H-indene-4-carboxylic acid?
The molecular formula of (3aS,6R,7aS)-6-Ethyl-2,3,3a,6,7,7a-hexahydro-1-oxo-1H-indene-4-carboxylic acid is C12H16O3.
What is the molecular weight of (3aS,6R,7aS)-6-Ethyl-2,3,3a,6,7,7a-hexahydro-1-oxo-1H-indene-4-carboxylic acid?
The molecular weight of (3aS,6R,7aS)-6-Ethyl-2,3,3a,6,7,7a-hexahydro-1-oxo-1H-indene-4-carboxylic acid is 208.11 g/mol.
Where can I buy (3aS,6R,7aS)-6-Ethyl-2,3,3a,6,7,7a-hexahydro-1-oxo-1H-indene-4-carboxylic acid?
You can request a quote for (3aS,6R,7aS)-6-Ethyl-2,3,3a,6,7,7a-hexahydro-1-oxo-1H-indene-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3aS,6R,7aS)-6-Ethyl-2,3,3a,6,7,7a-hexahydro-1-oxo-1H-indene-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (3aS,6R,7aS)-6-Ethyl-2,3,3a,6,7,7a-hexahydro-1-oxo-1H-indene-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.