3-(4-Chlorophenyl)-6-hydroxy-2-sulfanyl-3,4-dihydropyrimidin-4-one
TL;DR: 3-(4-Chlorophenyl)-6-hydroxy-2-sulfanyl-3,4-dihydropyrimidin-4-one (CAS 28921-30-4) is a chemical compound with molecular formula C10H7ClN2O2S and molecular weight 253.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-6-hydroxy-2-sulfanylidenepyrimidin-4-one
Also Known As: 3-(4-chlorophenyl)-6-hydroxy-2-sulfanyl-3,4-dihydropyrimidin-4-one, 1-(4-chlorophenyl)-6-hydroxy-2-sulfanylidenepyrimidin-4-one, 1-(4-chlorophenyl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one, 4(1H)-pyrimidinone, 1-(4-chlorophenyl)-2,3-dihydro-6-hydroxy-2-thioxo-, 1-(4-chlorophenyl)-6-hydroxy-2-sulfanylidene-3H-pyrimidin-4-one
| Molecular Formula | C10H7ClN2O2S |
|---|---|
| Molecular Weight | 253.99 g/mol |
| LogP | 2.25409 |
| Topological Polar Surface Area | 58.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 253.99167 |
| Heavy Atoms | 16 |
| Complexity | 630.5027 |
Chemical Identifiers
| CAS Number | 28921-30-4 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C(=CC(=O)NC2=S)O)Cl |
Product Overview
3-(4-Chlorophenyl)-6-hydroxy-2-sulfanyl-3,4-dihydropyrimidin-4-one (CAS 28921-30-4), with molecular formula C10H7ClN2O2S and molecular weight 253.99 g/mol. IUPAC: 1-(4-chlorophenyl)-6-hydroxy-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of 3-(4-Chlorophenyl)-6-hydroxy-2-sulfanyl-3,4-dihydropyrimidin-4-one
Property Insights of 3-(4-Chlorophenyl)-6-hydroxy-2-sulfanyl-3,4-dihydropyrimidin-4-one
The XLogP value of 2.25409 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Chlorophenyl)-6-hydroxy-2-sulfanyl-3,4-dihydropyrimidin-4-one. With a topological polar surface area (TPSA) of 58.02 Ų, 3-(4-Chlorophenyl)-6-hydroxy-2-sulfanyl-3,4-dihydropyrimidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Chlorophenyl)-6-hydroxy-2-sulfanyl-3,4-dihydropyrimidin-4-one has 2 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 3-(4-Chlorophenyl)-6-hydroxy-2-sulfanyl-3,4-dihydropyrimidin-4-one?
The CAS number of 3-(4-Chlorophenyl)-6-hydroxy-2-sulfanyl-3,4-dihydropyrimidin-4-one is 28921-30-4.
What is the molecular formula of 3-(4-Chlorophenyl)-6-hydroxy-2-sulfanyl-3,4-dihydropyrimidin-4-one?
The molecular formula of 3-(4-Chlorophenyl)-6-hydroxy-2-sulfanyl-3,4-dihydropyrimidin-4-one is C10H7ClN2O2S.
What is the molecular weight of 3-(4-Chlorophenyl)-6-hydroxy-2-sulfanyl-3,4-dihydropyrimidin-4-one?
The molecular weight of 3-(4-Chlorophenyl)-6-hydroxy-2-sulfanyl-3,4-dihydropyrimidin-4-one is 253.99 g/mol.
Where can I buy 3-(4-Chlorophenyl)-6-hydroxy-2-sulfanyl-3,4-dihydropyrimidin-4-one?
You can request a quote for 3-(4-Chlorophenyl)-6-hydroxy-2-sulfanyl-3,4-dihydropyrimidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Chlorophenyl)-6-hydroxy-2-sulfanyl-3,4-dihydropyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chlorophenyl)-6-hydroxy-2-sulfanyl-3,4-dihydropyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.