5-((5-methyl-3-thienyl)oxy)-2(1H)-pyrimidinone
TL;DR: 5-((5-methyl-3-thienyl)oxy)-2(1H)-pyrimidinone (CAS 2953-01-7) is a chemical compound with molecular formula C9H8N2O2S and molecular weight 208.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(5-methylthiophen-3-yl)oxy-1H-pyrimidin-2-one
Also Known As: MTOP, 5-((5-Methyl-3-thienyl)oxy)-2(1H)-pyrimidinone, 5-(5-methylthiophen-3-yl)oxy-1H-pyrimidin-2-one, NCI60_004797, 2(1H)-Pyrimidinone, 5-[(5-methyl-3-thienyl)oxy]-
| Molecular Formula | C9H8N2O2S |
|---|---|
| Molecular Weight | 208.03 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.03065 |
| Heavy Atoms | 14 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 2953-01-7 |
|---|---|
| SMILES | CC1=CC(=CS1)OC2=CNC(=O)N=C2 |
| InChIKey | DRBJAKLMKNARRC-UHFFFAOYSA-N |
Product Overview
5-((5-methyl-3-thienyl)oxy)-2(1H)-pyrimidinone (CAS 2953-01-7), with molecular formula C9H8N2O2S and molecular weight 208.03 g/mol. IUPAC: 5-(5-methylthiophen-3-yl)oxy-1H-pyrimidin-2-one.
Chemical Property Profile of 5-((5-methyl-3-thienyl)oxy)-2(1H)-pyrimidinone
Property Insights of 5-((5-methyl-3-thienyl)oxy)-2(1H)-pyrimidinone
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-((5-methyl-3-thienyl)oxy)-2(1H)-pyrimidinone. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-((5-methyl-3-thienyl)oxy)-2(1H)-pyrimidinone. Following Lipinski's Rule of Five, 5-((5-methyl-3-thienyl)oxy)-2(1H)-pyrimidinone 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 5-((5-methyl-3-thienyl)oxy)-2(1H)-pyrimidinone?
The CAS number of 5-((5-methyl-3-thienyl)oxy)-2(1H)-pyrimidinone is 2953-01-7.
What is the molecular formula of 5-((5-methyl-3-thienyl)oxy)-2(1H)-pyrimidinone?
The molecular formula of 5-((5-methyl-3-thienyl)oxy)-2(1H)-pyrimidinone is C9H8N2O2S.
What is the molecular weight of 5-((5-methyl-3-thienyl)oxy)-2(1H)-pyrimidinone?
The molecular weight of 5-((5-methyl-3-thienyl)oxy)-2(1H)-pyrimidinone is 208.03 g/mol.
Where can I buy 5-((5-methyl-3-thienyl)oxy)-2(1H)-pyrimidinone?
You can request a quote for 5-((5-methyl-3-thienyl)oxy)-2(1H)-pyrimidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-((5-methyl-3-thienyl)oxy)-2(1H)-pyrimidinone?
Yes, KEHONG BIO provides custom synthesis services for 5-((5-methyl-3-thienyl)oxy)-2(1H)-pyrimidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.