YS 3646
TL;DR: YS 3646 (CAS 1054-91-7) is a chemical compound with molecular formula C24H34INO3 and molecular weight 511.15833 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2,5-dimethoxyphenyl)-3-(1-methylpiperidin-1-ium-1-yl)-1-phenylbutan-1-ol iodide
Also Known As: YS 3646, KST-1A9762, Piperidinium, 1-(4-(2,5-dimethoxyphenyl)-4-hydroxy-4-phenyl-2-butyl)-1-methyl-, iodide, 1-(4-(2,5-Dimethoxyphenyl)-4-hydroxy-4-phenyl-2-butyl)-1-methylpiperidinium iodide, 1-(2,5-dimethoxyphenyl)-3-(1-methylpiperidin-1-ium-1-yl)-1-phenylbutan-1-ol;iodide
Technical Specifications
| Molecular Formula | C24H34INO3 |
| Molecular Weight | 511.15833 g/mol |
| XLogP | 1.35 |
| Topological Polar Surface Area (TPSA) | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 511.15833 Da |
| Heavy Atoms | 29 |
| Complexity | 472.0 |
| SMILES | CC(CC(C1=CC=CC=C1)(C2=C(C=CC(=C2)OC)OC)O)[N+]3(CCCCC3)C.[I-] |
| InChIKey | JWSCBJQDLPWEKU-UHFFFAOYSA-M |
Chemical Property Profile of YS 3646
Property Insights of YS 3646
The XLogP value of 1.35 suggests moderate lipophilicity, balancing water solubility and membrane permeability for YS 3646. With a topological polar surface area (TPSA) of 38.7 Ų, YS 3646 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, YS 3646 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of YS 3646?
The CAS number of YS 3646 is 1054-91-7.
What is the molecular formula of YS 3646?
The molecular formula of YS 3646 is C24H34INO3.
What is the molecular weight of YS 3646?
The molecular weight of YS 3646 is 511.15833 g/mol.
Where can I buy YS 3646?
You can request a quote for YS 3646 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for YS 3646?
Yes, CoreyChem provides custom synthesis services for YS 3646 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.