cocaethylene
TL;DR: cocaethylene (CAS 529-38-4) is a chemical compound with molecular formula C18H23NO4 and molecular weight 317.16272 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Also Known As: cocaethylene, Homocaine, Ethylbenzoylecgonine, (-)-Cocaethylene fumarate, DivK1c_000974
Technical Specifications
| Molecular Formula | C18H23NO4 |
| Molecular Weight | 317.16272 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 317.16272 Da |
| Heavy Atoms | 23 |
| Complexity | 446.0 |
| SMILES | CCOC(=O)C1C2CCC(N2C)CC1OC(=O)C3=CC=CC=C3 |
| InChIKey | NMPOSNRHZIWLLL-UHFFFAOYSA-N |
Product Description
Applications: cocaethylene is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A fine chemical supplied by CoreyChem, cocaethylene (CAS 529-38-4) has the molecular formula C18H23NO4 and a molecular weight of 317.16 g/mol. Synonyms include cocaethylene and Homocaine.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of cocaethylene
Property Insights of cocaethylene
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cocaethylene. With a topological polar surface area (TPSA) of 55.8 Ų, cocaethylene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cocaethylene 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 cocaethylene?
The CAS number of cocaethylene is 529-38-4.
What is the molecular formula of cocaethylene?
The molecular formula of cocaethylene is C18H23NO4.
What is the molecular weight of cocaethylene?
The molecular weight of cocaethylene is 317.16272 g/mol.
What are the applications of cocaethylene?
cocaethylene is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Where can I buy cocaethylene?
You can request a quote for cocaethylene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for cocaethylene?
Yes, CoreyChem provides custom synthesis services for cocaethylene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.