Pseudococaine
TL;DR: Pseudococaine (CAS 478-73-9) is a chemical compound with molecular formula C17H21NO4 and molecular weight 303.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,2S,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Also Known As: Pseudococaine, Isococaine, Delcaine, Dextrocaine, Isocaine
| Molecular Formula | C17H21NO4 |
|---|---|
| Molecular Weight | 303.15 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.14706 |
| Heavy Atoms | 22 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 478-73-9 |
|---|---|
| SMILES | CN1[C@H]2CC[C@@H]1[C@@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)OC |
| InChIKey | ZPUCINDJVBIVPJ-XGUBFFRZSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pseudococaine (CAS 478-73-9), with molecular formula C17H21NO4 and molecular weight 303.15 g/mol. IUPAC: methyl (1R,2S,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate.
Chemical Property Profile of Pseudococaine
Property Insights of Pseudococaine
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pseudococaine. With a topological polar surface area (TPSA) of 55.8 Ų, Pseudococaine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pseudococaine 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 Pseudococaine?
The CAS number of Pseudococaine is 478-73-9.
What is the molecular formula of Pseudococaine?
The molecular formula of Pseudococaine is C17H21NO4.
What is the molecular weight of Pseudococaine?
The molecular weight of Pseudococaine is 303.15 g/mol.
Where can I buy Pseudococaine?
You can request a quote for Pseudococaine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pseudococaine?
Yes, KEHONG BIO provides custom synthesis services for Pseudococaine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.