Shi 437
TL;DR: Shi 437 (CAS 121264-02-6) is a chemical compound with molecular formula C21H32Cl3N5O2 and molecular weight 491.16217 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-4,6-dimethylpyrimidin-5-yl]ethanone;trihydrochloride
Also Known As: Shi 437, SHI437, 1-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-4,6-dimethylpyrimidin-5-yl]ethanone trihydrochloride, 2-(2-(4-(2-Methoxyphenyl)-1-piperazinyl)ethyl)amino-5-acetyl-4,6-dimethylpyrimidine, 1-(2-((2-(4-(2-METHOXYPHENYL)-1-PIPERAZINYL)ETHYL)AMINO)-4,6-DIMETHYL-5-PYRIMIDINYL)ETHANONE TRIHYDROCHLORIDE
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C21H32Cl3N5O2 |
| Molecular Weight | 491.16217 g/mol |
| XLogP | 3.80414 |
| Topological Polar Surface Area (TPSA) | 70.6 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 491.16217 Da |
| Heavy Atoms | 31 |
| Complexity | 485.0 |
| SMILES | CC1=C(C(=NC(=N1)NCCN2CCN(CC2)C3=CC=CC=C3OC)C)C(=O)C.Cl.Cl.Cl |
| InChIKey | GZYRDLQDXVNZIO-UHFFFAOYSA-N |
Chemical Property Profile of Shi 437
Property Insights of Shi 437
The XLogP value of 3.80414 indicates that Shi 437 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Shi 437. Following Lipinski's Rule of Five, Shi 437 has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Shi 437?
The CAS number of Shi 437 is 121264-02-6.
What is the molecular formula of Shi 437?
The molecular formula of Shi 437 is C21H32Cl3N5O2.
What is the molecular weight of Shi 437?
The molecular weight of Shi 437 is 491.16217 g/mol.
Where can I buy Shi 437?
You can request a quote for Shi 437 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Shi 437?
Yes, CoreyChem provides custom synthesis services for Shi 437 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.