2-benzylsulfanyl-5-prop-2-enyl-1H-pyrimidin-6-one
TL;DR: 2-benzylsulfanyl-5-prop-2-enyl-1H-pyrimidin-6-one (CAS 92245-33-5) is a chemical compound with molecular formula C14H14N2OS and molecular weight 258.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-5-prop-2-enyl-1H-pyrimidin-6-one
Also Known As: 2-benzylsulfanyl-5-prop-2-enyl-1H-pyrimidin-6-one, 2-(Benzylsulfanyl)-5-(prop-2-en-1-yl)pyrimidin-4(3H)-one
| Molecular Formula | C14H14N2OS |
|---|---|
| Molecular Weight | 258.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 258.08267 |
| Heavy Atoms | 18 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 92245-33-5 |
|---|---|
| SMILES | C=CCC1=CN=C(NC1=O)SCC2=CC=CC=C2 |
| InChIKey | PDASKRJMPCQSHQ-UHFFFAOYSA-N |
Product Overview
2-benzylsulfanyl-5-prop-2-enyl-1H-pyrimidin-6-one (CAS 92245-33-5), with molecular formula C14H14N2OS and molecular weight 258.08 g/mol. IUPAC: 2-benzylsulfanyl-5-prop-2-enyl-1H-pyrimidin-6-one.
Chemical Property Profile of 2-benzylsulfanyl-5-prop-2-enyl-1H-pyrimidin-6-one
Property Insights of 2-benzylsulfanyl-5-prop-2-enyl-1H-pyrimidin-6-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-benzylsulfanyl-5-prop-2-enyl-1H-pyrimidin-6-one. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-benzylsulfanyl-5-prop-2-enyl-1H-pyrimidin-6-one. Following Lipinski's Rule of Five, 2-benzylsulfanyl-5-prop-2-enyl-1H-pyrimidin-6-one 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 2-benzylsulfanyl-5-prop-2-enyl-1H-pyrimidin-6-one?
The CAS number of 2-benzylsulfanyl-5-prop-2-enyl-1H-pyrimidin-6-one is 92245-33-5.
What is the molecular formula of 2-benzylsulfanyl-5-prop-2-enyl-1H-pyrimidin-6-one?
The molecular formula of 2-benzylsulfanyl-5-prop-2-enyl-1H-pyrimidin-6-one is C14H14N2OS.
What is the molecular weight of 2-benzylsulfanyl-5-prop-2-enyl-1H-pyrimidin-6-one?
The molecular weight of 2-benzylsulfanyl-5-prop-2-enyl-1H-pyrimidin-6-one is 258.08 g/mol.
Where can I buy 2-benzylsulfanyl-5-prop-2-enyl-1H-pyrimidin-6-one?
You can request a quote for 2-benzylsulfanyl-5-prop-2-enyl-1H-pyrimidin-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-benzylsulfanyl-5-prop-2-enyl-1H-pyrimidin-6-one?
Yes, KEHONG BIO provides custom synthesis services for 2-benzylsulfanyl-5-prop-2-enyl-1H-pyrimidin-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.