3a,4,7,7a-tetrahydro-1H-4,7-methanoindene-2,6-dicarboxylic acid
TL;DR: 3a,4,7,7a-tetrahydro-1H-4,7-methanoindene-2,6-dicarboxylic acid (CAS 37995-02-1) is a chemical compound with molecular formula C12H12O4 and molecular weight 220.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tricyclo[5.2.1.02,6]deca-3,8-diene-4,8-dicarboxylic acid
Also Known As: Thiele's acid, DICYCLOPENTADIENEDICARBOXYLICACID IN HEPTANE, 4,7-Methano-1H-indene-2,6-dicarboxylic acid, 3a,4,7,7a-tetrahydro-, 3a,4,7,7a-tetrahydro-1H-4,7-methanoindene-2,6-dicarboxylic acid, tricyclo[5.2.1.0^{2,6}]deca-3,8-diene-4,8-dicarboxylic acid
| Molecular Formula | C12H12O4 |
|---|---|
| Molecular Weight | 220.07 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.07356 |
| Heavy Atoms | 16 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 37995-02-1 |
|---|---|
| SMILES | C1C2C=C(C1C3C2C=C(C3)C(=O)O)C(=O)O |
| InChIKey | HOEKWXIIQMHCRS-UHFFFAOYSA-N |
Product Overview
3a,4,7,7a-tetrahydro-1H-4,7-methanoindene-2,6-dicarboxylic acid (CAS 37995-02-1), with molecular formula C12H12O4 and molecular weight 220.07 g/mol. IUPAC: tricyclo[5.2.1.02,6]deca-3,8-diene-4,8-dicarboxylic acid.
Chemical Property Profile of 3a,4,7,7a-tetrahydro-1H-4,7-methanoindene-2,6-dicarboxylic acid
Property Insights of 3a,4,7,7a-tetrahydro-1H-4,7-methanoindene-2,6-dicarboxylic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3a,4,7,7a-tetrahydro-1H-4,7-methanoindene-2,6-dicarboxylic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3a,4,7,7a-tetrahydro-1H-4,7-methanoindene-2,6-dicarboxylic acid. Following Lipinski's Rule of Five, 3a,4,7,7a-tetrahydro-1H-4,7-methanoindene-2,6-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 3a,4,7,7a-tetrahydro-1H-4,7-methanoindene-2,6-dicarboxylic acid?
The CAS number of 3a,4,7,7a-tetrahydro-1H-4,7-methanoindene-2,6-dicarboxylic acid is 37995-02-1.
What is the molecular formula of 3a,4,7,7a-tetrahydro-1H-4,7-methanoindene-2,6-dicarboxylic acid?
The molecular formula of 3a,4,7,7a-tetrahydro-1H-4,7-methanoindene-2,6-dicarboxylic acid is C12H12O4.
What is the molecular weight of 3a,4,7,7a-tetrahydro-1H-4,7-methanoindene-2,6-dicarboxylic acid?
The molecular weight of 3a,4,7,7a-tetrahydro-1H-4,7-methanoindene-2,6-dicarboxylic acid is 220.07 g/mol.
Where can I buy 3a,4,7,7a-tetrahydro-1H-4,7-methanoindene-2,6-dicarboxylic acid?
You can request a quote for 3a,4,7,7a-tetrahydro-1H-4,7-methanoindene-2,6-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3a,4,7,7a-tetrahydro-1H-4,7-methanoindene-2,6-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3a,4,7,7a-tetrahydro-1H-4,7-methanoindene-2,6-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.