Methyl Oxepane-2-carboxylate
TL;DR: Methyl Oxepane-2-carboxylate (CAS 161254-51-9) is a chemical compound with molecular formula C8H14O3 and molecular weight 158.0943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl oxepane-2-carboxylate
Also Known As: Methyl Oxepane-2-carboxylate
Technical Specifications
| Molecular Formula | C8H14O3 |
| Molecular Weight | 158.0943 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 158.0943 Da |
| Heavy Atoms | 11 |
| Complexity | 133.0 |
| SMILES | COC(=O)C1CCCCCO1 |
| InChIKey | JLXSDKNKARJBNS-UHFFFAOYSA-N |
Chemical Property Profile of Methyl Oxepane-2-carboxylate
Property Insights of Methyl Oxepane-2-carboxylate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl Oxepane-2-carboxylate. With a topological polar surface area (TPSA) of 35.5 Ų, Methyl Oxepane-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl Oxepane-2-carboxylate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl Oxepane-2-carboxylate?
The CAS number of Methyl Oxepane-2-carboxylate is 161254-51-9.
What is the molecular formula of Methyl Oxepane-2-carboxylate?
The molecular formula of Methyl Oxepane-2-carboxylate is C8H14O3.
What is the molecular weight of Methyl Oxepane-2-carboxylate?
The molecular weight of Methyl Oxepane-2-carboxylate is 158.0943 g/mol.
Where can I buy Methyl Oxepane-2-carboxylate?
You can request a quote for Methyl Oxepane-2-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl Oxepane-2-carboxylate?
Yes, CoreyChem provides custom synthesis services for Methyl Oxepane-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.