![1-{4-Hydroxy-3-[(pyrimidin-2-ylsulfanyl)methyl]phenyl}ethan-1-one structure](/static/products/7309/730992-37-7.webp)
1-{4-Hydroxy-3-[(pyrimidin-2-ylsulfanyl)methyl]phenyl}ethan-1-one
TL;DR: 1-{4-Hydroxy-3-[(pyrimidin-2-ylsulfanyl)methyl]phenyl}ethan-1-one (CAS 730992-37-7) is a chemical compound with molecular formula C13H12N2O2S and molecular weight 260.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-hydroxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethanone
Also Known As: 1-{4-hydroxy-3-[(pyrimidin-2-ylsulfanyl)methyl]phenyl}ethan-1-one, 1-{4-hydroxy-3-[(pyrimidin-2-ylthio)methyl]phenyl}ethanone, 1-[4-hydroxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethanone, 1-[4-Hydroxy-3-[(2-pyrimidinylthio)methyl]phenyl]ethanone, 1-{4-HYDROXY-3-[(PYRIMIDIN-2-YLSULFANYL)METHYL]PHENYL}ETHANONE
| Molecular Formula | C13H12N2O2S |
|---|---|
| Molecular Weight | 260.06 g/mol |
| LogP | 2.6771 |
| Topological Polar Surface Area | 63.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.06195 |
| Heavy Atoms | 18 |
| Complexity | 558.1726 |
Chemical Identifiers
| CAS Number | 730992-37-7 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1)O)CSC2=NC=CC=N2 |
Product Overview
1-{4-Hydroxy-3-[(pyrimidin-2-ylsulfanyl)methyl]phenyl}ethan-1-one (CAS 730992-37-7), with molecular formula C13H12N2O2S and molecular weight 260.06 g/mol. IUPAC: 1-[4-hydroxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethanone.
Chemical Property Profile of 1-{4-Hydroxy-3-[(pyrimidin-2-ylsulfanyl)methyl]phenyl}ethan-1-one
Property Insights of 1-{4-Hydroxy-3-[(pyrimidin-2-ylsulfanyl)methyl]phenyl}ethan-1-one
The XLogP value of 2.6771 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{4-Hydroxy-3-[(pyrimidin-2-ylsulfanyl)methyl]phenyl}ethan-1-one. The TPSA of 63.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{4-Hydroxy-3-[(pyrimidin-2-ylsulfanyl)methyl]phenyl}ethan-1-one. Following Lipinski's Rule of Five, 1-{4-Hydroxy-3-[(pyrimidin-2-ylsulfanyl)methyl]phenyl}ethan-1-one has 1 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-Hydroxy-3-[(pyrimidin-2-ylsulfanyl)methyl]phenyl}ethan-1-one?
The CAS number of 1-{4-Hydroxy-3-[(pyrimidin-2-ylsulfanyl)methyl]phenyl}ethan-1-one is 730992-37-7.
What is the molecular formula of 1-{4-Hydroxy-3-[(pyrimidin-2-ylsulfanyl)methyl]phenyl}ethan-1-one?
The molecular formula of 1-{4-Hydroxy-3-[(pyrimidin-2-ylsulfanyl)methyl]phenyl}ethan-1-one is C13H12N2O2S.
What is the molecular weight of 1-{4-Hydroxy-3-[(pyrimidin-2-ylsulfanyl)methyl]phenyl}ethan-1-one?
The molecular weight of 1-{4-Hydroxy-3-[(pyrimidin-2-ylsulfanyl)methyl]phenyl}ethan-1-one is 260.06 g/mol.
Where can I buy 1-{4-Hydroxy-3-[(pyrimidin-2-ylsulfanyl)methyl]phenyl}ethan-1-one?
You can request a quote for 1-{4-Hydroxy-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-Hydroxy-3-[(pyrimidin-2-ylsulfanyl)methyl]phenyl}ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-{4-Hydroxy-3-[(pyrimidin-2-ylsulfanyl)methyl]phenyl}ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.