1-(4-Methyl-2-phenyl-6-sulfanyl-5-pyrimidinyl)-1-ethanone
TL;DR: 1-(4-Methyl-2-phenyl-6-sulfanyl-5-pyrimidinyl)-1-ethanone (CAS 81397-23-1) is a chemical compound with molecular formula C13H12N2OS and molecular weight 244.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6-methyl-2-phenyl-4-sulfanylidene-1H-pyrimidin-5-yl)ethanone
Also Known As: 1-(4-methyl-2-phenyl-6-sulfanyl-5-pyrimidinyl)-1-ethanone, 1-(4-methyl-2-phenyl-6-sulfanylpyrimidin-5-yl)ethan-1-one, 5-Acetyl-6-methyl-2-phenylpyrimidine-4-thiol, 1-(6-methyl-2-phenyl-4-sulfanylidene-1H-pyrimidin-5-yl)ethanone, 1-(6-Methyl-2-phenyl-4-thioxo-1,4-dihydropyrimidin-5-yl)ethanone
| Molecular Formula | C13H12N2OS |
|---|---|
| Molecular Weight | 244.07 g/mol |
| LogP | 3.31721 |
| Topological Polar Surface Area | 45.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 244.06703 |
| Heavy Atoms | 17 |
| Complexity | 617.06177 |
Chemical Identifiers
| CAS Number | 81397-23-1 |
|---|---|
| SMILES | CC1=C(C(=S)N=C(N1)C2=CC=CC=C2)C(=O)C |
Product Overview
1-(4-Methyl-2-phenyl-6-sulfanyl-5-pyrimidinyl)-1-ethanone (CAS 81397-23-1), with molecular formula C13H12N2OS and molecular weight 244.07 g/mol. IUPAC: 1-(6-methyl-2-phenyl-4-sulfanylidene-1H-pyrimidin-5-yl)ethanone.
Chemical Property Profile of 1-(4-Methyl-2-phenyl-6-sulfanyl-5-pyrimidinyl)-1-ethanone
Property Insights of 1-(4-Methyl-2-phenyl-6-sulfanyl-5-pyrimidinyl)-1-ethanone
The XLogP value of 3.31721 indicates that 1-(4-Methyl-2-phenyl-6-sulfanyl-5-pyrimidinyl)-1-ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.75 Ų, 1-(4-Methyl-2-phenyl-6-sulfanyl-5-pyrimidinyl)-1-ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Methyl-2-phenyl-6-sulfanyl-5-pyrimidinyl)-1-ethanone 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 1-(4-Methyl-2-phenyl-6-sulfanyl-5-pyrimidinyl)-1-ethanone?
The CAS number of 1-(4-Methyl-2-phenyl-6-sulfanyl-5-pyrimidinyl)-1-ethanone is 81397-23-1.
What is the molecular formula of 1-(4-Methyl-2-phenyl-6-sulfanyl-5-pyrimidinyl)-1-ethanone?
The molecular formula of 1-(4-Methyl-2-phenyl-6-sulfanyl-5-pyrimidinyl)-1-ethanone is C13H12N2OS.
What is the molecular weight of 1-(4-Methyl-2-phenyl-6-sulfanyl-5-pyrimidinyl)-1-ethanone?
The molecular weight of 1-(4-Methyl-2-phenyl-6-sulfanyl-5-pyrimidinyl)-1-ethanone is 244.07 g/mol.
Where can I buy 1-(4-Methyl-2-phenyl-6-sulfanyl-5-pyrimidinyl)-1-ethanone?
You can request a quote for 1-(4-Methyl-2-phenyl-6-sulfanyl-5-pyrimidinyl)-1-ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Methyl-2-phenyl-6-sulfanyl-5-pyrimidinyl)-1-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methyl-2-phenyl-6-sulfanyl-5-pyrimidinyl)-1-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.