1,3-Dimethyl-2,4-dioxo-5-pyrimidinesulfonic acid phenyl ester
TL;DR: 1,3-Dimethyl-2,4-dioxo-5-pyrimidinesulfonic acid phenyl ester (CAS 869070-39-3) is a chemical compound with molecular formula C12H12N2O5S and molecular weight 296.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonate
Also Known As: phenyl 1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonate, 1,3-dimethyl-2,4-dioxo-5-pyrimidinesulfonic acid phenyl ester, phenyl 1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonate, F1850-0005
| Molecular Formula | C12H12N2O5S |
|---|---|
| Molecular Weight | 296.05 g/mol |
| LogP | -0.1483 |
| Topological Polar Surface Area | 87.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.0467 |
| Heavy Atoms | 20 |
| Complexity | 849.6518 |
Chemical Identifiers
| CAS Number | 869070-39-3 |
|---|---|
| SMILES | CN1C=C(C(=O)N(C1=O)C)S(=O)(=O)OC2=CC=CC=C2 |
Product Overview
1,3-Dimethyl-2,4-dioxo-5-pyrimidinesulfonic acid phenyl ester (CAS 869070-39-3), with molecular formula C12H12N2O5S and molecular weight 296.05 g/mol. IUPAC: phenyl 1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonate.
Chemical Property Profile of 1,3-Dimethyl-2,4-dioxo-5-pyrimidinesulfonic acid phenyl ester
Property Insights of 1,3-Dimethyl-2,4-dioxo-5-pyrimidinesulfonic acid phenyl ester
The XLogP value of -0.1483 indicates that 1,3-Dimethyl-2,4-dioxo-5-pyrimidinesulfonic acid phenyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 87.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dimethyl-2,4-dioxo-5-pyrimidinesulfonic acid phenyl ester. Following Lipinski's Rule of Five, 1,3-Dimethyl-2,4-dioxo-5-pyrimidinesulfonic acid phenyl ester 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 1,3-Dimethyl-2,4-dioxo-5-pyrimidinesulfonic acid phenyl ester?
The CAS number of 1,3-Dimethyl-2,4-dioxo-5-pyrimidinesulfonic acid phenyl ester is 869070-39-3.
What is the molecular formula of 1,3-Dimethyl-2,4-dioxo-5-pyrimidinesulfonic acid phenyl ester?
The molecular formula of 1,3-Dimethyl-2,4-dioxo-5-pyrimidinesulfonic acid phenyl ester is C12H12N2O5S.
What is the molecular weight of 1,3-Dimethyl-2,4-dioxo-5-pyrimidinesulfonic acid phenyl ester?
The molecular weight of 1,3-Dimethyl-2,4-dioxo-5-pyrimidinesulfonic acid phenyl ester is 296.05 g/mol.
Where can I buy 1,3-Dimethyl-2,4-dioxo-5-pyrimidinesulfonic acid phenyl ester?
You can request a quote for 1,3-Dimethyl-2,4-dioxo-5-pyrimidinesulfonic acid phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethyl-2,4-dioxo-5-pyrimidinesulfonic acid phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl-2,4-dioxo-5-pyrimidinesulfonic acid phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.