SHI-437 free base
TL;DR: SHI-437 free base (CAS 108381-26-6) is a chemical compound with molecular formula C21H29N5O2 and molecular weight 383.23212 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
Also Known As: SHI-437 free base, Shi 437, 1-(2-((2-(4-(2-Methoxyphenyl)-1-piperazinyl)ethyl)amino)-4,6-dimethyl-5-pyrimidinyl)ethanone, Ethanone, 1-(2-((2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)amino)-4,6-dimethyl-5-pyrimidinyl)-, 2-(2-(4-(2-Methoxyphenyl)-1-piperazinyl)ethyl)amino-5-acetyl-4,6-dimethylpyrimidine
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C21H29N5O2 |
| Molecular Weight | 383.23212 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 70.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 383.23212 Da |
| Heavy Atoms | 28 |
| Complexity | 485.0 |
| SMILES | CC1=C(C(=NC(=N1)NCCN2CCN(CC2)C3=CC=CC=C3OC)C)C(=O)C |
| InChIKey | SASFUNXGPNBZOR-UHFFFAOYSA-N |
Chemical Property Profile of SHI-437 free base
Property Insights of SHI-437 free base
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for SHI-437 free base. The TPSA of 70.6 Ų falls within the moderate polarity range, balancing permeability and solubility for SHI-437 free base. Following Lipinski's Rule of Five, SHI-437 free base has 1 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 free base?
The CAS number of SHI-437 free base is 108381-26-6.
What is the molecular formula of SHI-437 free base?
The molecular formula of SHI-437 free base is C21H29N5O2.
What is the molecular weight of SHI-437 free base?
The molecular weight of SHI-437 free base is 383.23212 g/mol.
Where can I buy SHI-437 free base?
You can request a quote for SHI-437 free base directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for SHI-437 free base?
Yes, CoreyChem provides custom synthesis services for SHI-437 free base and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.