1,3,3a,4,7,7a-Hexahydro-2h-indene-2,2-dicarboxylic acid
TL;DR: 1,3,3a,4,7,7a-Hexahydro-2h-indene-2,2-dicarboxylic acid (CAS 31083-64-4) is a chemical compound with molecular formula C11H14O4 and molecular weight 210.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,3a,4,7,7a-hexahydroindene-2,2-dicarboxylic acid
Also Known As: KST-1B2946, 1,3,3a,4,7,7a-hexahydro-2h-indene-2,2-dicarboxylic acid, 1,3,3a,4,7,7a-hexahydroindene-2,2-dicarboxylic acid, (+-)-trans-1,3,3a,4,7,7a-hexahydro-indene-2,2-dicarboxylic acid, (3aR,7aS)-1,3,3a,4,7,7a-hexahydroindene-2,2-dicarboxylic acid
| Molecular Formula | C11H14O4 |
|---|---|
| Molecular Weight | 210.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.0892 |
| Heavy Atoms | 15 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 31083-64-4 |
|---|---|
| SMILES | C1C=CCC2C1CC(C2)(C(=O)O)C(=O)O |
| InChIKey | HBIGXAYPFWAMMO-UHFFFAOYSA-N |
Product Overview
1,3,3a,4,7,7a-Hexahydro-2h-indene-2,2-dicarboxylic acid (CAS 31083-64-4), with molecular formula C11H14O4 and molecular weight 210.09 g/mol. IUPAC: 1,3,3a,4,7,7a-hexahydroindene-2,2-dicarboxylic acid.
Chemical Property Profile of 1,3,3a,4,7,7a-Hexahydro-2h-indene-2,2-dicarboxylic acid
Property Insights of 1,3,3a,4,7,7a-Hexahydro-2h-indene-2,2-dicarboxylic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,3a,4,7,7a-Hexahydro-2h-indene-2,2-dicarboxylic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,3a,4,7,7a-Hexahydro-2h-indene-2,2-dicarboxylic acid. Following Lipinski's Rule of Five, 1,3,3a,4,7,7a-Hexahydro-2h-indene-2,2-dicarboxylic acid has 2 hydrogen bond donor(s) and 4 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 1,3,3a,4,7,7a-Hexahydro-2h-indene-2,2-dicarboxylic acid?
The CAS number of 1,3,3a,4,7,7a-Hexahydro-2h-indene-2,2-dicarboxylic acid is 31083-64-4.
What is the molecular formula of 1,3,3a,4,7,7a-Hexahydro-2h-indene-2,2-dicarboxylic acid?
The molecular formula of 1,3,3a,4,7,7a-Hexahydro-2h-indene-2,2-dicarboxylic acid is C11H14O4.
What is the molecular weight of 1,3,3a,4,7,7a-Hexahydro-2h-indene-2,2-dicarboxylic acid?
The molecular weight of 1,3,3a,4,7,7a-Hexahydro-2h-indene-2,2-dicarboxylic acid is 210.09 g/mol.
Where can I buy 1,3,3a,4,7,7a-Hexahydro-2h-indene-2,2-dicarboxylic acid?
You can request a quote for 1,3,3a,4,7,7a-Hexahydro-2h-indene-2,2-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,3a,4,7,7a-Hexahydro-2h-indene-2,2-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,3,3a,4,7,7a-Hexahydro-2h-indene-2,2-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.