5-(3,4-Dihydro-2H-1-benzothiopyran-4-yl)pyrimidin-4-ol
TL;DR: 5-(3,4-Dihydro-2H-1-benzothiopyran-4-yl)pyrimidin-4-ol (CAS 153004-51-4) is a chemical compound with molecular formula C13H12N2OS and molecular weight 244.06703 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(3,4-dihydro-2H-thiochromen-4-yl)-1H-pyrimidin-6-one
Also Known As: 5-(3,4-Dihydro-2H-1-benzothiopyran-4-yl)-4(1H)-pyrimidinone, 4(1H)-Pyrimidinone, 5-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-, 5-(3,4-Dihydro-2H-1-benzothiopyran-4-yl)pyrimidin-4-ol, 5-(3,4-dihydro-2H-thiochromen-4-yl)-1H-pyrimidin-6-one
Technical Specifications
| Molecular Formula | C13H12N2OS |
| Molecular Weight | 244.06703 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.06703 Da |
| Heavy Atoms | 17 |
| Complexity | 378.0 |
| SMILES | C1CSC2=CC=CC=C2C1C3=CN=CNC3=O |
| InChIKey | ZGBLVXHSBGWFQE-UHFFFAOYSA-N |
Chemical Property Profile of 5-(3,4-Dihydro-2H-1-benzothiopyran-4-yl)pyrimidin-4-ol
Property Insights of 5-(3,4-Dihydro-2H-1-benzothiopyran-4-yl)pyrimidin-4-ol
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3,4-Dihydro-2H-1-benzothiopyran-4-yl)pyrimidin-4-ol. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3,4-Dihydro-2H-1-benzothiopyran-4-yl)pyrimidin-4-ol. Following Lipinski's Rule of Five, 5-(3,4-Dihydro-2H-1-benzothiopyran-4-yl)pyrimidin-4-ol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-(3,4-Dihydro-2H-1-benzothiopyran-4-yl)pyrimidin-4-ol?
The CAS number of 5-(3,4-Dihydro-2H-1-benzothiopyran-4-yl)pyrimidin-4-ol is 153004-51-4.
What is the molecular formula of 5-(3,4-Dihydro-2H-1-benzothiopyran-4-yl)pyrimidin-4-ol?
The molecular formula of 5-(3,4-Dihydro-2H-1-benzothiopyran-4-yl)pyrimidin-4-ol is C13H12N2OS.
What is the molecular weight of 5-(3,4-Dihydro-2H-1-benzothiopyran-4-yl)pyrimidin-4-ol?
The molecular weight of 5-(3,4-Dihydro-2H-1-benzothiopyran-4-yl)pyrimidin-4-ol is 244.06703 g/mol.
Where can I buy 5-(3,4-Dihydro-2H-1-benzothiopyran-4-yl)pyrimidin-4-ol?
You can request a quote for 5-(3,4-Dihydro-2H-1-benzothiopyran-4-yl)pyrimidin-4-ol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(3,4-Dihydro-2H-1-benzothiopyran-4-yl)pyrimidin-4-ol?
Yes, CoreyChem provides custom synthesis services for 5-(3,4-Dihydro-2H-1-benzothiopyran-4-yl)pyrimidin-4-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.