Ethyl 2-sulfo-1-cyclohexene-1-carboxylate
TL;DR: Ethyl 2-sulfo-1-cyclohexene-1-carboxylate (CAS 1007028-46-7) is a chemical compound with molecular formula C9H14O5S and molecular weight 234.0562 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethoxycarbonylcyclohexene-1-sulfonic acid
Also Known As: Resatorvid Impurity 11, 2-(ETHOXYCARBONYL)CYCLOHEX-1-ENE-1-SULFONIC ACID, ethyl 2-sulfo-1-cyclohexene-1-carboxylate, 2-ethoxycarbonylcyclohexene-1-sulfonic Acid, 2-Sulfo-cyclohex-1-enecarboxylic acid ethyl ester
Technical Specifications
| Molecular Formula | C9H14O5S |
| Molecular Weight | 234.0562 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 89.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.0562 Da |
| Heavy Atoms | 15 |
| Complexity | 374.0 |
| SMILES | CCOC(=O)C1=C(CCCC1)S(=O)(=O)O |
| InChIKey | SIIGGFCBVDNNNU-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2-sulfo-1-cyclohexene-1-carboxylate
Property Insights of Ethyl 2-sulfo-1-cyclohexene-1-carboxylate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-sulfo-1-cyclohexene-1-carboxylate. The TPSA of 89.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-sulfo-1-cyclohexene-1-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-sulfo-1-cyclohexene-1-carboxylate 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 Ethyl 2-sulfo-1-cyclohexene-1-carboxylate?
The CAS number of Ethyl 2-sulfo-1-cyclohexene-1-carboxylate is 1007028-46-7.
What is the molecular formula of Ethyl 2-sulfo-1-cyclohexene-1-carboxylate?
The molecular formula of Ethyl 2-sulfo-1-cyclohexene-1-carboxylate is C9H14O5S.
What is the molecular weight of Ethyl 2-sulfo-1-cyclohexene-1-carboxylate?
The molecular weight of Ethyl 2-sulfo-1-cyclohexene-1-carboxylate is 234.0562 g/mol.
Where can I buy Ethyl 2-sulfo-1-cyclohexene-1-carboxylate?
You can request a quote for Ethyl 2-sulfo-1-cyclohexene-1-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-sulfo-1-cyclohexene-1-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-sulfo-1-cyclohexene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.