4(1H)-Pyrimidinone, 5-(2-thienyl)-
TL;DR: 4(1H)-Pyrimidinone, 5-(2-thienyl)- (CAS 58758-97-7) is a chemical compound with molecular formula C8H6N2OS and molecular weight 178.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-thiophen-2-yl-1H-pyrimidin-6-one
Also Known As: 5-(2-Thienyl)-4(1H)-pyrimidinone, 4(1H)-Pyrimidinone, 5-(2-thienyl)-, 5-thiophen-2-yl-1H-pyrimidin-6-one, 4(3H)-Pyrimidinone, 5-(2-thienyl)-, 5-(Thiophen-2-yl)pyrimidin-4(3H)-one
| Molecular Formula | C8H6N2OS |
|---|---|
| Molecular Weight | 178.02 g/mol |
| LogP | 1.4984 |
| Topological Polar Surface Area | 45.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.02008 |
| Heavy Atoms | 12 |
| Complexity | 418.62784 |
Chemical Identifiers
| CAS Number | 58758-97-7 |
|---|---|
| SMILES | C1=CSC(=C1)C2=CN=CNC2=O |
Product Overview
4(1H)-Pyrimidinone, 5-(2-thienyl)- (CAS 58758-97-7), with molecular formula C8H6N2OS and molecular weight 178.02 g/mol. IUPAC: 5-thiophen-2-yl-1H-pyrimidin-6-one.
Chemical Property Profile of 4(1H)-Pyrimidinone, 5-(2-thienyl)-
Property Insights of 4(1H)-Pyrimidinone, 5-(2-thienyl)-
The XLogP value of 1.4984 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4(1H)-Pyrimidinone, 5-(2-thienyl)-. With a topological polar surface area (TPSA) of 45.75 Ų, 4(1H)-Pyrimidinone, 5-(2-thienyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4(1H)-Pyrimidinone, 5-(2-thienyl)- 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
Frequently Asked Questions
What is the CAS number of 4(1H)-Pyrimidinone, 5-(2-thienyl)-?
The CAS number of 4(1H)-Pyrimidinone, 5-(2-thienyl)- is 58758-97-7.
What is the molecular formula of 4(1H)-Pyrimidinone, 5-(2-thienyl)-?
The molecular formula of 4(1H)-Pyrimidinone, 5-(2-thienyl)- is C8H6N2OS.
What is the molecular weight of 4(1H)-Pyrimidinone, 5-(2-thienyl)-?
The molecular weight of 4(1H)-Pyrimidinone, 5-(2-thienyl)- is 178.02 g/mol.
Where can I buy 4(1H)-Pyrimidinone, 5-(2-thienyl)-?
You can request a quote for 4(1H)-Pyrimidinone, 5-(2-thienyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4(1H)-Pyrimidinone, 5-(2-thienyl)-?
Yes, KEHONG BIO provides custom synthesis services for 4(1H)-Pyrimidinone, 5-(2-thienyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.