Psicaine
TL;DR: Psicaine (CAS 1176-03-0) is a chemical compound with molecular formula C21H27NO10 and molecular weight 453.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R)-2,3-dihydroxybutanedioic acid;methyl (1R,2S,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Also Known As: Psicaine, Pseudococaine tartrate, Delcaine tartrate, d-Cocaine tartrate, Isococaine tartrate
| Molecular Formula | C21H27NO10 |
|---|---|
| Molecular Weight | 453.16 g/mol |
| LogP | -0.25 |
| Topological Polar Surface Area | 171.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 453.16348 |
| Heavy Atoms | 32 |
| Complexity | 566.0 |
Chemical Identifiers
| CAS Number | 1176-03-0 |
|---|---|
| SMILES | CN1[C@H]2CC[C@@H]1[C@@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)OC.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O |
| InChIKey | MRJHQVZNBKASQN-GASYBUPXSA-N |
Product Overview
Psicaine (CAS 1176-03-0), with molecular formula C21H27NO10 and molecular weight 453.16 g/mol. IUPAC: (2R,3R)-2,3-dihydroxybutanedioic acid;methyl (1R,2S,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate.
Chemical Property Profile of Psicaine
Property Insights of Psicaine
The XLogP value of -0.25 indicates that Psicaine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 171.0 Ų indicates high polarity, suggesting Psicaine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Psicaine has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Psicaine?
The CAS number of Psicaine is 1176-03-0.
What is the molecular formula of Psicaine?
The molecular formula of Psicaine is C21H27NO10.
What is the molecular weight of Psicaine?
The molecular weight of Psicaine is 453.16 g/mol.
Where can I buy Psicaine?
You can request a quote for Psicaine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Psicaine?
Yes, KEHONG BIO provides custom synthesis services for Psicaine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.