1,3,3a,4,7,7a-Hexahydro-4,7-methano-indene-2,2-dicarboxylic acid
TL;DR: 1,3,3a,4,7,7a-Hexahydro-4,7-methano-indene-2,2-dicarboxylic acid (CAS 6623-19-4) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tricyclo[5.2.1.02,6]dec-8-ene-4,4-dicarboxylic acid
Also Known As: [?]dicarboxylic acid|NCIOpen2_006206|KST-1B7135|1,3,3a,4,7,7a-hexahydro-2h-4,7-methanoindene-2,2-dicarboxylic acid|1,3,3a,4,7,7a-Hexahydro-4,7-methano-indene-2,2-dicarboxylic acid
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 6623-19-4 |
|---|---|
| SMILES | C1C2C=CC1C3C2CC(C3)(C(=O)O)C(=O)O |
| InChIKey | NHHYWJZHVDNDBI-UHFFFAOYSA-N |
Product Overview
1,3,3a,4,7,7a-Hexahydro-4,7-methano-indene-2,2-dicarboxylic acid (CAS 6623-19-4), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: tricyclo[5.2.1.02,6]dec-8-ene-4,4-dicarboxylic acid.
Chemical Property Profile of 1,3,3a,4,7,7a-Hexahydro-4,7-methano-indene-2,2-dicarboxylic acid
Property Insights of 1,3,3a,4,7,7a-Hexahydro-4,7-methano-indene-2,2-dicarboxylic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,3a,4,7,7a-Hexahydro-4,7-methano-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-4,7-methano-indene-2,2-dicarboxylic acid. Following Lipinski's Rule of Five, 1,3,3a,4,7,7a-Hexahydro-4,7-methano-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-4,7-methano-indene-2,2-dicarboxylic acid?
The CAS number of 1,3,3a,4,7,7a-Hexahydro-4,7-methano-indene-2,2-dicarboxylic acid is 6623-19-4.
What is the molecular formula of 1,3,3a,4,7,7a-Hexahydro-4,7-methano-indene-2,2-dicarboxylic acid?
The molecular formula of 1,3,3a,4,7,7a-Hexahydro-4,7-methano-indene-2,2-dicarboxylic acid is C12H14O4.
What is the molecular weight of 1,3,3a,4,7,7a-Hexahydro-4,7-methano-indene-2,2-dicarboxylic acid?
The molecular weight of 1,3,3a,4,7,7a-Hexahydro-4,7-methano-indene-2,2-dicarboxylic acid is 222.09 g/mol.
Where can I buy 1,3,3a,4,7,7a-Hexahydro-4,7-methano-indene-2,2-dicarboxylic acid?
You can request a quote for 1,3,3a,4,7,7a-Hexahydro-4,7-methano-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-4,7-methano-indene-2,2-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,3,3a,4,7,7a-Hexahydro-4,7-methano-indene-2,2-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.