Digammacaine
TL;DR: Digammacaine (CAS 63906-88-7) is a chemical compound with molecular formula C21H27ClN2O and molecular weight 358.18118 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(1-phenyl-3-piperidin-1-ium-1-ylpropyl)benzamide chloride
Also Known As: Digammacaine, (+-)-DIGAMMACAINE, DIGAMMACAINE, (+-)-, 1-Benzamido-1-phenyl-3-piperidinopropane hydrochloride, Piperidine, N-(3-benzamido-3-phenyl)propyl-, hydrochloride
Technical Specifications
| Molecular Formula | C21H27ClN2O |
| Molecular Weight | 358.18118 g/mol |
| XLogP | -0.38 |
| Topological Polar Surface Area (TPSA) | 33.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 358.18118 Da |
| Heavy Atoms | 25 |
| Complexity | 366.0 |
| SMILES | C1CC[NH+](CC1)CCC(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3.[Cl-] |
| InChIKey | YVBOFDGPWVOQBW-UHFFFAOYSA-N |
Chemical Property Profile of Digammacaine
Property Insights of Digammacaine
The XLogP value of -0.38 indicates that Digammacaine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 33.5 Ų, Digammacaine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Digammacaine has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Digammacaine?
The CAS number of Digammacaine is 63906-88-7.
What is the molecular formula of Digammacaine?
The molecular formula of Digammacaine is C21H27ClN2O.
What is the molecular weight of Digammacaine?
The molecular weight of Digammacaine is 358.18118 g/mol.
Where can I buy Digammacaine?
You can request a quote for Digammacaine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Digammacaine?
Yes, CoreyChem provides custom synthesis services for Digammacaine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.