Methyl 2-((1,6-dihydro-6-oxo-5-(phenylsulfonyl)-2-pyrimidinyl)thio)acetate
TL;DR: Methyl 2-((1,6-dihydro-6-oxo-5-(phenylsulfonyl)-2-pyrimidinyl)thio)acetate (CAS 341968-27-2) is a chemical compound with molecular formula C13H12N2O5S2 and molecular weight 340.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[5-(benzenesulfonyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetate
Also Known As: methyl 2-{[4-hydroxy-5-(phenylsulfonyl)-2-pyrimidinyl]sulfanyl}acetate, methyl 2-{[5-(benzenesulfonyl)-4-hydroxypyrimidin-2-yl]sulfanyl}acetate, methyl 2-[[5-(benzenesulfonyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetate, Methyl 2-[[1,6-dihydro-6-oxo-5-(phenylsulfonyl)-2-pyrimidinyl]thio]acetate, Methyl 2-{4-hydroxy-5-(phenylsulfonyl)-2-pyrimidinylsulfanyl}acetate
| Molecular Formula | C13H12N2O5S2 |
|---|---|
| Molecular Weight | 340.02 g/mol |
| LogP | 0.8678 |
| Topological Polar Surface Area | 106.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 340.01877 |
| Heavy Atoms | 22 |
| Complexity | 831.009 |
Chemical Identifiers
| CAS Number | 341968-27-2 |
|---|---|
| SMILES | COC(=O)CSC1=NC=C(C(=O)N1)S(=O)(=O)C2=CC=CC=C2 |
Product Overview
Methyl 2-((1,6-dihydro-6-oxo-5-(phenylsulfonyl)-2-pyrimidinyl)thio)acetate (CAS 341968-27-2), with molecular formula C13H12N2O5S2 and molecular weight 340.02 g/mol. IUPAC: methyl 2-[[5-(benzenesulfonyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetate.
Chemical Property Profile of Methyl 2-((1,6-dihydro-6-oxo-5-(phenylsulfonyl)-2-pyrimidinyl)thio)acetate
Property Insights of Methyl 2-((1,6-dihydro-6-oxo-5-(phenylsulfonyl)-2-pyrimidinyl)thio)acetate
The XLogP value of 0.8678 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-((1,6-dihydro-6-oxo-5-(phenylsulfonyl)-2-pyrimidinyl)thio)acetate. The TPSA of 106.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-((1,6-dihydro-6-oxo-5-(phenylsulfonyl)-2-pyrimidinyl)thio)acetate. Following Lipinski's Rule of Five, Methyl 2-((1,6-dihydro-6-oxo-5-(phenylsulfonyl)-2-pyrimidinyl)thio)acetate has 1 hydrogen bond donor(s) and 7 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 Methyl 2-((1,6-dihydro-6-oxo-5-(phenylsulfonyl)-2-pyrimidinyl)thio)acetate?
The CAS number of Methyl 2-((1,6-dihydro-6-oxo-5-(phenylsulfonyl)-2-pyrimidinyl)thio)acetate is 341968-27-2.
What is the molecular formula of Methyl 2-((1,6-dihydro-6-oxo-5-(phenylsulfonyl)-2-pyrimidinyl)thio)acetate?
The molecular formula of Methyl 2-((1,6-dihydro-6-oxo-5-(phenylsulfonyl)-2-pyrimidinyl)thio)acetate is C13H12N2O5S2.
What is the molecular weight of Methyl 2-((1,6-dihydro-6-oxo-5-(phenylsulfonyl)-2-pyrimidinyl)thio)acetate?
The molecular weight of Methyl 2-((1,6-dihydro-6-oxo-5-(phenylsulfonyl)-2-pyrimidinyl)thio)acetate is 340.02 g/mol.
Where can I buy Methyl 2-((1,6-dihydro-6-oxo-5-(phenylsulfonyl)-2-pyrimidinyl)thio)acetate?
You can request a quote for Methyl 2-((1,6-dihydro-6-oxo-5-(phenylsulfonyl)-2-pyrimidinyl)thio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-((1,6-dihydro-6-oxo-5-(phenylsulfonyl)-2-pyrimidinyl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-((1,6-dihydro-6-oxo-5-(phenylsulfonyl)-2-pyrimidinyl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.