Trabuton hydrochloride
TL;DR: Trabuton hydrochloride (CAS 14777-22-1) is a chemical compound with molecular formula C21H24ClNO and molecular weight 341.15463 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-phenyl-4-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)butan-1-one chloride
Also Known As: Trabuton hydrochloride, Phenoperidone hydrochloride, 4-(4-Phenyl-3,4-dehydro-1-piperidyl)butyrophenone hydrochloride, BUTYROPHENONE, 4-(4-PHENYL-3,4-DEHYDRO-1-PIPERIDYL)-, HYDROCHLORIDE, Butyrophenone, 4-(3,6-dihydro-4-phenyl-1(2H)-pyridyl)-, hydrochloride
Technical Specifications
| Molecular Formula | C21H24ClNO |
| Molecular Weight | 341.15463 g/mol |
| XLogP | 0.03 |
| Topological Polar Surface Area (TPSA) | 21.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 341.15463 Da |
| Heavy Atoms | 24 |
| Complexity | 402.0 |
| SMILES | C1C[NH+](CC=C1C2=CC=CC=C2)CCCC(=O)C3=CC=CC=C3.[Cl-] |
| InChIKey | BXUMMYJTNLBPAN-UHFFFAOYSA-N |
Chemical Property Profile of Trabuton hydrochloride
Property Insights of Trabuton hydrochloride
The XLogP value of 0.03 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trabuton hydrochloride. With a topological polar surface area (TPSA) of 21.5 Ų, Trabuton hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trabuton hydrochloride has 1 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 Trabuton hydrochloride?
The CAS number of Trabuton hydrochloride is 14777-22-1.
What is the molecular formula of Trabuton hydrochloride?
The molecular formula of Trabuton hydrochloride is C21H24ClNO.
What is the molecular weight of Trabuton hydrochloride?
The molecular weight of Trabuton hydrochloride is 341.15463 g/mol.
Where can I buy Trabuton hydrochloride?
You can request a quote for Trabuton hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Trabuton hydrochloride?
Yes, CoreyChem provides custom synthesis services for Trabuton hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.