YS 3646
TL;DR: YS 3646 (CAS 1054-91-7) is a chemical compound with molecular formula C24H34INO3 and molecular weight 511.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C24H34INO3 |
|---|---|
| Molecular Weight | 511.16 g/mol |
| LogP | 1.35 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 511.15833 |
| Heavy Atoms | 29 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 1054-91-7 |
|---|---|
| SMILES | CC(CC(C1=CC=CC=C1)(C2=C(C=CC(=C2)OC)OC)O)[N+]3(CCCCC3)C.[I-] |
| InChIKey | JWSCBJQDLPWEKU-UHFFFAOYSA-M |
Product Overview
YS 3646 (CAS 1054-91-7), with molecular formula C24H34INO3 and molecular weight 511.16 g/mol. IUPAC: 1-(2,5-dimethoxyphenyl)-3-(1-methylpiperidin-1-ium-1-yl)-1-phenylbutan-1-ol iodide.
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
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 511.16 g/mol.
Where can I buy YS 3646?
You can request a quote for YS 3646 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for YS 3646?
Yes, KEHONG BIO provides custom synthesis services for YS 3646 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.