4-Acetylphenyl 1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonate
TL;DR: 4-Acetylphenyl 1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonate (CAS 869071-19-2) is a chemical compound with molecular formula C14H14N2O6S and molecular weight 338.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-acetylphenyl) 1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonate
Also Known As: 4-acetylphenyl 1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonate, (4-acetylphenyl) 1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonate, F1850-0045
| Molecular Formula | C14H14N2O6S |
|---|---|
| Molecular Weight | 338.06 g/mol |
| LogP | 0.0543 |
| Topological Polar Surface Area | 104.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.05725 |
| Heavy Atoms | 23 |
| Complexity | 983.4081 |
Chemical Identifiers
| CAS Number | 869071-19-2 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)OS(=O)(=O)C2=CN(C(=O)N(C2=O)C)C |
Product Overview
4-Acetylphenyl 1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonate (CAS 869071-19-2), with molecular formula C14H14N2O6S and molecular weight 338.06 g/mol. IUPAC: (4-acetylphenyl) 1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonate.
Chemical Property Profile of 4-Acetylphenyl 1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonate
Property Insights of 4-Acetylphenyl 1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonate
The XLogP value of 0.0543 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Acetylphenyl 1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonate. The TPSA of 104.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Acetylphenyl 1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonate. Following Lipinski's Rule of Five, 4-Acetylphenyl 1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonate has 0 hydrogen bond donor(s) and 6 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 4-Acetylphenyl 1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonate?
The CAS number of 4-Acetylphenyl 1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonate is 869071-19-2.
What is the molecular formula of 4-Acetylphenyl 1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonate?
The molecular formula of 4-Acetylphenyl 1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonate is C14H14N2O6S.
What is the molecular weight of 4-Acetylphenyl 1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonate?
The molecular weight of 4-Acetylphenyl 1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonate is 338.06 g/mol.
Where can I buy 4-Acetylphenyl 1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonate?
You can request a quote for 4-Acetylphenyl 1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Acetylphenyl 1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetylphenyl 1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.