TL;DR: 7-Oxabicyclo(2.2.1)hept-5-ene-2,3-dicarboxylic acid, dimethyl ester, (exo,exo)- (CAS 1984-43-6) is a chemical compound with molecular formula C10H12O5 and molecular weight 212.06847 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl (1S,2R,3S,4R)-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
Also Known As: 7-Oxabicyclo(2.2.1)hept-5-ene-2,3-dicarboxylic acid, dimethyl ester, (exo,exo)-, dimethyl 7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate, 7-oxabicyclo(2.2.1)hept-5-ene-2,3-dicarboxylic acid, dimethyl ester,(exo,exo)-, dimethyl (1R,2S,3R,4S)-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dic, (1R,4S)-7-Oxanorborna-5-ene-2beta,3beta-dicarboxylic acid dimethyl ester
| Molecular Formula | C10H12O5 |
| Molecular Weight | 212.06847 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 212.06847 Da |
| Heavy Atoms | 15 |
| Complexity | 292.0 |
| SMILES | COC(=O)[C@@H]1[C@H]2C=C[C@@H]([C@@H]1C(=O)OC)O2 |
| InChIKey | JYJBURATEMWQOS-KVFPUHGPSA-N |
The XLogP value of -0.1 indicates that 7-Oxabicyclo(2.2.1)hept-5-ene-2,3-dicarboxylic acid, dimethyl ester, (exo,exo)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Oxabicyclo(2.2.1)hept-5-ene-2,3-dicarboxylic acid, dimethyl ester, (exo,exo)-. Following Lipinski's Rule of Five, 7-Oxabicyclo(2.2.1)hept-5-ene-2,3-dicarboxylic acid, dimethyl ester, (exo,exo)- has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 7-Oxabicyclo(2.2.1)hept-5-ene-2,3-dicarboxylic acid, dimethyl ester, (exo,exo)- is 1984-43-6.
The molecular formula of 7-Oxabicyclo(2.2.1)hept-5-ene-2,3-dicarboxylic acid, dimethyl ester, (exo,exo)- is C10H12O5.
The molecular weight of 7-Oxabicyclo(2.2.1)hept-5-ene-2,3-dicarboxylic acid, dimethyl ester, (exo,exo)- is 212.06847 g/mol.
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