RefChem:1097521
TL;DR: RefChem:1097521 (CAS 55921-70-5) is a chemical compound with molecular formula C12H20ClN5OS and molecular weight 317.1077 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[4-chloro-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-yl]amino]ethanol
Also Known As: 4-Chloro-2- -6- -5- pyrimidine, 5-25-12-00572 (Beilstein Handbook Reference), 4-Chloro-2-(2-hydroxyethylamino)-6-(4-methylpiperazino)-5-methylthiopyrimidine, Pyrimidine, 4-chloro-2-(2-hydroxyethylamino)-6-(4-methylpiperazino)-5-methylthio-, 2-N-(beta-Hydroxyethyl)amino-4-N-methylpiperazino-6-chloro-5-methylthiopyrimidine
Technical Specifications
| Molecular Formula | C12H20ClN5OS |
| Molecular Weight | 317.1077 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 89.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 317.1077 Da |
| Heavy Atoms | 20 |
| Complexity | 293.0 |
| SMILES | CN1CCN(CC1)C2=C(C(=NC(=N2)NCCO)Cl)SC |
| InChIKey | RUDQYVYWAGQGNG-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1097521
Property Insights of RefChem:1097521
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1097521. The TPSA of 89.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1097521. Following Lipinski's Rule of Five, RefChem:1097521 has 2 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 RefChem:1097521?
The CAS number of RefChem:1097521 is 55921-70-5.
What is the molecular formula of RefChem:1097521?
The molecular formula of RefChem:1097521 is C12H20ClN5OS.
What is the molecular weight of RefChem:1097521?
The molecular weight of RefChem:1097521 is 317.1077 g/mol.
Where can I buy RefChem:1097521?
You can request a quote for RefChem:1097521 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1097521?
Yes, CoreyChem provides custom synthesis services for RefChem:1097521 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.