4(3h)-Pyrimidinone, 2-(ethylthio)-5-fluoro-
TL;DR: 4(3h)-Pyrimidinone, 2-(ethylthio)-5-fluoro- (CAS 66277-14-3) is a chemical compound with molecular formula C6H7FN2OS and molecular weight 174.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanyl-5-fluoro-1H-pyrimidin-6-one
Also Known As: NCIOpen2_002191, 4(3h)-pyrimidinone, 2-(ethylthio)-5-fluoro-, 2-ethylsulfanyl-5-fluoro-1H-pyrimidin-6-one, 2-ethylthio-5-fluoropyrimidin-4-one, 2-(ethylsulfanyl)-5-fluoropyrimidin-4(3H)-one
| Molecular Formula | C6H7FN2OS |
|---|---|
| Molecular Weight | 174.03 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 174.0263 |
| Heavy Atoms | 11 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 66277-14-3 |
|---|---|
| SMILES | CCSC1=NC=C(C(=O)N1)F |
| InChIKey | LEXFFTVGUGUSMN-UHFFFAOYSA-N |
Product Overview
4(3h)-Pyrimidinone, 2-(ethylthio)-5-fluoro- (CAS 66277-14-3), with molecular formula C6H7FN2OS and molecular weight 174.03 g/mol. IUPAC: 2-ethylsulfanyl-5-fluoro-1H-pyrimidin-6-one.
Chemical Property Profile of 4(3h)-Pyrimidinone, 2-(ethylthio)-5-fluoro-
Property Insights of 4(3h)-Pyrimidinone, 2-(ethylthio)-5-fluoro-
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4(3h)-Pyrimidinone, 2-(ethylthio)-5-fluoro-. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4(3h)-Pyrimidinone, 2-(ethylthio)-5-fluoro-. Following Lipinski's Rule of Five, 4(3h)-Pyrimidinone, 2-(ethylthio)-5-fluoro- has 1 hydrogen bond donor(s) and 4 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(3h)-Pyrimidinone, 2-(ethylthio)-5-fluoro-?
The CAS number of 4(3h)-Pyrimidinone, 2-(ethylthio)-5-fluoro- is 66277-14-3.
What is the molecular formula of 4(3h)-Pyrimidinone, 2-(ethylthio)-5-fluoro-?
The molecular formula of 4(3h)-Pyrimidinone, 2-(ethylthio)-5-fluoro- is C6H7FN2OS.
What is the molecular weight of 4(3h)-Pyrimidinone, 2-(ethylthio)-5-fluoro-?
The molecular weight of 4(3h)-Pyrimidinone, 2-(ethylthio)-5-fluoro- is 174.03 g/mol.
Where can I buy 4(3h)-Pyrimidinone, 2-(ethylthio)-5-fluoro-?
You can request a quote for 4(3h)-Pyrimidinone, 2-(ethylthio)-5-fluoro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4(3h)-Pyrimidinone, 2-(ethylthio)-5-fluoro-?
Yes, KEHONG BIO provides custom synthesis services for 4(3h)-Pyrimidinone, 2-(ethylthio)-5-fluoro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.