YM461
TL;DR: YM461 (CAS 118196-11-5) is a chemical compound with molecular formula C26H32N4O5S and molecular weight 512.20935 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
but-2-enedioic acid;[4-(3-phenylpropyl)piperazin-1-yl]-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone
Also Known As: YM461, YM 461, YM 461;YM-461, 1-(3-Phenylpropyl)-4-(2-(3-pyridyl)thiazolidin-4-yl-carbonyl)piperazine, but-2-enedioic acid; [4-(3-phenylpropyl)piperazin-1-yl]-(2-pyridin-3-ylthiazolidin-4-yl)methanone
Technical Specifications
| Molecular Formula | C26H32N4O5S |
| Molecular Weight | 512.20935 g/mol |
| XLogP | 2.274 |
| Topological Polar Surface Area (TPSA) | 148.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 512.20935 Da |
| Heavy Atoms | 36 |
| Complexity | 610.0 |
| SMILES | C1CN(CCN1CCCC2=CC=CC=C2)C(=O)C3CSC(N3)C4=CN=CC=C4.C(=CC(=O)O)C(=O)O |
| InChIKey | PVWPTZYGRBCBBR-UHFFFAOYSA-N |
Chemical Property Profile of YM461
Property Insights of YM461
The XLogP value of 2.274 suggests moderate lipophilicity, balancing water solubility and membrane permeability for YM461. The TPSA of 148.0 Ų indicates high polarity, suggesting YM461 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, YM461 has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of YM461?
The CAS number of YM461 is 118196-11-5.
What is the molecular formula of YM461?
The molecular formula of YM461 is C26H32N4O5S.
What is the molecular weight of YM461?
The molecular weight of YM461 is 512.20935 g/mol.
Where can I buy YM461?
You can request a quote for YM461 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for YM461?
Yes, CoreyChem provides custom synthesis services for YM461 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.