![1-{4-Methoxy-3-[(pyrimidin-2-ylsulfanyl)methyl]phenyl}ethan-1-one structure](/static/products/7330/733044-95-6.webp)
1-{4-Methoxy-3-[(pyrimidin-2-ylsulfanyl)methyl]phenyl}ethan-1-one
TL;DR: 1-{4-Methoxy-3-[(pyrimidin-2-ylsulfanyl)methyl]phenyl}ethan-1-one (CAS 733044-95-6) is a chemical compound with molecular formula C14H14N2O2S and molecular weight 274.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethanone
Also Known As: 1-{4-methoxy-3-[(pyrimidin-2-ylsulfanyl)methyl]phenyl}ethan-1-one, 1-[4-Methoxy-3-(pyrimidin-2-ylsulfanylmethyl)-phenyl]-ethanone, 1-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethanone, 1-(4-Methoxy-3-((pyrimidin-2-ylthio)methyl)phenyl)ethan-1-one, 1-(4-methoxy-3-[(pyrimidin-2-ylsulfanyl)methyl]phenyl)ethan-1-one
| Molecular Formula | C14H14N2O2S |
|---|---|
| Molecular Weight | 274.08 g/mol |
| LogP | 2.9801 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 274.0776 |
| Heavy Atoms | 19 |
| Complexity | 572.9136 |
Chemical Identifiers
| CAS Number | 733044-95-6 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC=CC=N2 |
Product Overview
1-{4-Methoxy-3-[(pyrimidin-2-ylsulfanyl)methyl]phenyl}ethan-1-one (CAS 733044-95-6), with molecular formula C14H14N2O2S and molecular weight 274.08 g/mol. IUPAC: 1-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethanone.
Chemical Property Profile of 1-{4-Methoxy-3-[(pyrimidin-2-ylsulfanyl)methyl]phenyl}ethan-1-one
Property Insights of 1-{4-Methoxy-3-[(pyrimidin-2-ylsulfanyl)methyl]phenyl}ethan-1-one
The XLogP value of 2.9801 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{4-Methoxy-3-[(pyrimidin-2-ylsulfanyl)methyl]phenyl}ethan-1-one. With a topological polar surface area (TPSA) of 52.08 Ų, 1-{4-Methoxy-3-[(pyrimidin-2-ylsulfanyl)methyl]phenyl}ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-{4-Methoxy-3-[(pyrimidin-2-ylsulfanyl)methyl]phenyl}ethan-1-one has 0 hydrogen bond donor(s) and 5 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-Methoxy-3-[(pyrimidin-2-ylsulfanyl)methyl]phenyl}ethan-1-one?
The CAS number of 1-{4-Methoxy-3-[(pyrimidin-2-ylsulfanyl)methyl]phenyl}ethan-1-one is 733044-95-6.
What is the molecular formula of 1-{4-Methoxy-3-[(pyrimidin-2-ylsulfanyl)methyl]phenyl}ethan-1-one?
The molecular formula of 1-{4-Methoxy-3-[(pyrimidin-2-ylsulfanyl)methyl]phenyl}ethan-1-one is C14H14N2O2S.
What is the molecular weight of 1-{4-Methoxy-3-[(pyrimidin-2-ylsulfanyl)methyl]phenyl}ethan-1-one?
The molecular weight of 1-{4-Methoxy-3-[(pyrimidin-2-ylsulfanyl)methyl]phenyl}ethan-1-one is 274.08 g/mol.
Where can I buy 1-{4-Methoxy-3-[(pyrimidin-2-ylsulfanyl)methyl]phenyl}ethan-1-one?
You can request a quote for 1-{4-Methoxy-3-[(pyrimidin-2-ylsulfanyl)methyl]phenyl}ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{4-Methoxy-3-[(pyrimidin-2-ylsulfanyl)methyl]phenyl}ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-{4-Methoxy-3-[(pyrimidin-2-ylsulfanyl)methyl]phenyl}ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.