7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, monomethyl ester
TL;DR: 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, monomethyl ester (CAS 121423-53-8) is a chemical compound with molecular formula C9H12O5 and molecular weight 200.06847 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Also Known As: Endothal-monomethyl, Methyl hydrogen 3,6-endoxohexahydrophthalate, 3-(methoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid, Methyl 7-oxabicyclo(2.2.1)heptane-2,3-dicarboxylate, 3-methoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Technical Specifications
| Molecular Formula | C9H12O5 |
| Molecular Weight | 200.06847 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.06847 Da |
| Heavy Atoms | 14 |
| Complexity | 274.0 |
| SMILES | COC(=O)C1C2CCC(C1C(=O)O)O2 |
| InChIKey | RTYHOZSKZMLUKB-UHFFFAOYSA-N |
Chemical Property Profile of 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, monomethyl ester
Property Insights of 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, monomethyl ester
The XLogP value of -0.1 indicates that 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, monomethyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, monomethyl ester. Following Lipinski's Rule of Five, 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, monomethyl ester has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, monomethyl ester?
The CAS number of 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, monomethyl ester is 121423-53-8.
What is the molecular formula of 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, monomethyl ester?
The molecular formula of 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, monomethyl ester is C9H12O5.
What is the molecular weight of 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, monomethyl ester?
The molecular weight of 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, monomethyl ester is 200.06847 g/mol.
Where can I buy 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, monomethyl ester?
You can request a quote for 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, monomethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, monomethyl ester?
Yes, CoreyChem provides custom synthesis services for 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, monomethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.