高古柯碱
TL;DR: 高古柯碱 (CAS 529-38-4) is a chemical compound with molecular formula C18H23NO4 and molecular weight 317.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
高古柯碱
ethyl 3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Also Known As: cocaethylene, Homocaine, Ethylbenzoylecgonine, (-)-Cocaethylene fumarate, DivK1c_000974
| Molecular Formula | C18H23NO4 |
|---|---|
| Molecular Weight | 317.16 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 317.16272 |
| Heavy Atoms | 23 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 529-38-4 |
|---|---|
| SMILES | CCOC(=O)C1C2CCC(N2C)CC1OC(=O)C3=CC=CC=C3 |
| InChIKey | NMPOSNRHZIWLLL-UHFFFAOYSA-N |
Product Overview
高古柯碱 (CAS 529-38-4), with molecular formula C18H23NO4 and molecular weight 317.16 g/mol. IUPAC: ethyl 3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate.
Chemical Property Profile of 高古柯碱
Property Insights of 高古柯碱
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 高古柯碱. With a topological polar surface area (TPSA) of 55.8 Ų, 高古柯碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 高古柯碱 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
Frequently Asked Questions
What is the CAS number of 高古柯碱?
The CAS number of 高古柯碱 is 529-38-4.
What is the molecular formula of 高古柯碱?
The molecular formula of 高古柯碱 is C18H23NO4.
What is the molecular weight of 高古柯碱?
The molecular weight of 高古柯碱 is 317.16 g/mol.
Where can I buy 高古柯碱?
You can request a quote for 高古柯碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 高古柯碱?
Yes, KEHONG BIO provides custom synthesis services for 高古柯碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.