dimethyl (1S,2S)-4-oxocyclopentane-1,2-dicarboxylate
TL;DR: dimethyl (1S,2S)-4-oxocyclopentane-1,2-dicarboxylate (CAS 1001666-74-5) 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.
trans-dimethyl (1S,2S)-4-oxocyclopentane-1,2-dicarboxylate
Also Known As: dimethyl (1S,2S)-4-oxocyclopentane-1,2-dicarboxylate, (1S,2S)-Dimethyl 4-oxocyclopentane-1,2-dicarboxylate, (1S,2S)-4-Oxo-cyclopentane-1,2-dicarboxylic acid dimethyl ester, J1.101.616B, 1,2-dimethyl (1S,2S)-4-oxocyclopentane-1,2-dicarboxylate
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H12O5 |
| Molecular Weight | 200.06847 g/mol |
| XLogP | -0.6 |
| Topological Polar Surface Area (TPSA) | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 200.06847 Da |
| Heavy Atoms | 14 |
| Complexity | 244.0 |
| SMILES | COC(=O)[C@H]1CC(=O)C[C@@H]1C(=O)OC |
| InChIKey | GMKJWKXCHOWVDN-BQBZGAKWSA-N |
Chemical Property Profile of dimethyl (1S,2S)-4-oxocyclopentane-1,2-dicarboxylate
Property Insights of dimethyl (1S,2S)-4-oxocyclopentane-1,2-dicarboxylate
The XLogP value of -0.6 indicates that dimethyl (1S,2S)-4-oxocyclopentane-1,2-dicarboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl (1S,2S)-4-oxocyclopentane-1,2-dicarboxylate. Following Lipinski's Rule of Five, dimethyl (1S,2S)-4-oxocyclopentane-1,2-dicarboxylate has 0 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 dimethyl (1S,2S)-4-oxocyclopentane-1,2-dicarboxylate?
The CAS number of dimethyl (1S,2S)-4-oxocyclopentane-1,2-dicarboxylate is 1001666-74-5.
What is the molecular formula of dimethyl (1S,2S)-4-oxocyclopentane-1,2-dicarboxylate?
The molecular formula of dimethyl (1S,2S)-4-oxocyclopentane-1,2-dicarboxylate is C9H12O5.
What is the molecular weight of dimethyl (1S,2S)-4-oxocyclopentane-1,2-dicarboxylate?
The molecular weight of dimethyl (1S,2S)-4-oxocyclopentane-1,2-dicarboxylate is 200.06847 g/mol.
Where can I buy dimethyl (1S,2S)-4-oxocyclopentane-1,2-dicarboxylate?
You can request a quote for dimethyl (1S,2S)-4-oxocyclopentane-1,2-dicarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for dimethyl (1S,2S)-4-oxocyclopentane-1,2-dicarboxylate?
Yes, CoreyChem provides custom synthesis services for dimethyl (1S,2S)-4-oxocyclopentane-1,2-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.