Auy II
TL;DR: Auy II (CAS 1178-27-4) is a chemical compound with molecular formula C27H33Cl3N2S and molecular weight 522.143 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-[(2-chlorophenyl)-phenylmethyl]sulfanylethyl]-4-[(2-methylphenyl)methyl]piperazine;dihydrochloride
Also Known As: Auy-II, Auy II, Piperazine, 1-(2-((o-chloro-alpha-phenylbenzyl)thio)ethyl)-4-(o-methylbenzyl)-, dihydrochloride, Piperazine, 1-(2-((2-chlorophenyl)phenylmethylthio)ethyl)-4-((2-methylphenyl)methyl)-, 2HCl, 1-(2-{[(2-Chlorophenyl)(phenyl)methyl]sulfanyl}ethyl)-4-[(2-methylphenyl)methyl]piperazine--hydrogen chloride (1/2)
Technical Specifications
| Molecular Formula | C27H33Cl3N2S |
| Molecular Weight | 522.143 g/mol |
| XLogP | 7.13 |
| Topological Polar Surface Area (TPSA) | 31.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 522.143 Da |
| Heavy Atoms | 33 |
| Complexity | 503.0 |
| SMILES | CC1=CC=CC=C1CN2CCN(CC2)CCSC(C3=CC=CC=C3)C4=CC=CC=C4Cl.Cl.Cl |
| InChIKey | IZAKURFUFAWXGL-UHFFFAOYSA-N |
Chemical Property Profile of Auy II
Property Insights of Auy II
The XLogP value of 7.13 indicates that Auy II is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.8 Ų, Auy II exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Auy II has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Auy II?
The CAS number of Auy II is 1178-27-4.
What is the molecular formula of Auy II?
The molecular formula of Auy II is C27H33Cl3N2S.
What is the molecular weight of Auy II?
The molecular weight of Auy II is 522.143 g/mol.
Where can I buy Auy II?
You can request a quote for Auy II directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Auy II?
Yes, CoreyChem provides custom synthesis services for Auy II and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.