2-(4-methoxy-benzylsulfanyl)-3H-pyrimidin-4-one
TL;DR: 2-(4-methoxy-benzylsulfanyl)-3H-pyrimidin-4-one (CAS 51255-33-5) is a chemical compound with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-6-one
Also Known As: BAS 04280325, 2-(4-methoxy-benzylsulfanyl)-3H-pyrimidin-4-one, 2-[(4-methoxybenzyl)thio]-4(1H)-pyrimidinone, 2-[(4-methoxyphenyl)methylthio]pyrimidin-4-ol, 2-(4-Methoxy-benzylsulfanyl)-1H-pyrimidin-4-one
| Molecular Formula | C12H12N2O2S |
|---|---|
| Molecular Weight | 248.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.06195 |
| Heavy Atoms | 17 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 51255-33-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CSC2=NC=CC(=O)N2 |
| InChIKey | HXTYMZAFGTVWMD-UHFFFAOYSA-N |
Product Overview
2-(4-methoxy-benzylsulfanyl)-3H-pyrimidin-4-one (CAS 51255-33-5), with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol. IUPAC: 2-[(4-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-6-one.
Chemical Property Profile of 2-(4-methoxy-benzylsulfanyl)-3H-pyrimidin-4-one
Property Insights of 2-(4-methoxy-benzylsulfanyl)-3H-pyrimidin-4-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-methoxy-benzylsulfanyl)-3H-pyrimidin-4-one. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-methoxy-benzylsulfanyl)-3H-pyrimidin-4-one. Following Lipinski's Rule of Five, 2-(4-methoxy-benzylsulfanyl)-3H-pyrimidin-4-one 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 2-(4-methoxy-benzylsulfanyl)-3H-pyrimidin-4-one?
The CAS number of 2-(4-methoxy-benzylsulfanyl)-3H-pyrimidin-4-one is 51255-33-5.
What is the molecular formula of 2-(4-methoxy-benzylsulfanyl)-3H-pyrimidin-4-one?
The molecular formula of 2-(4-methoxy-benzylsulfanyl)-3H-pyrimidin-4-one is C12H12N2O2S.
What is the molecular weight of 2-(4-methoxy-benzylsulfanyl)-3H-pyrimidin-4-one?
The molecular weight of 2-(4-methoxy-benzylsulfanyl)-3H-pyrimidin-4-one is 248.06 g/mol.
Where can I buy 2-(4-methoxy-benzylsulfanyl)-3H-pyrimidin-4-one?
You can request a quote for 2-(4-methoxy-benzylsulfanyl)-3H-pyrimidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-methoxy-benzylsulfanyl)-3H-pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-methoxy-benzylsulfanyl)-3H-pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.