3,5-dimethylphenyl 1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonate
TL;DR: 3,5-dimethylphenyl 1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonate (CAS 869070-38-2) is a chemical compound with molecular formula C14H16N2O5S and molecular weight 324.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-dimethylphenyl) 1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonate
Also Known As: 3,5-dimethylphenyl 1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonate, (3,5-dimethylphenyl) 1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonate, F1850-0004
| Molecular Formula | C14H16N2O5S |
|---|---|
| Molecular Weight | 324.08 g/mol |
| LogP | 0.46854 |
| Topological Polar Surface Area | 87.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.078 |
| Heavy Atoms | 22 |
| Complexity | 933.9241 |
Chemical Identifiers
| CAS Number | 869070-38-2 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)OS(=O)(=O)C2=CN(C(=O)N(C2=O)C)C)C |
Product Overview
3,5-dimethylphenyl 1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonate (CAS 869070-38-2), with molecular formula C14H16N2O5S and molecular weight 324.08 g/mol. IUPAC: (3,5-dimethylphenyl) 1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonate.
Chemical Property Profile of 3,5-dimethylphenyl 1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonate
Property Insights of 3,5-dimethylphenyl 1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonate
The XLogP value of 0.46854 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-dimethylphenyl 1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonate. The TPSA of 87.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-dimethylphenyl 1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonate. Following Lipinski's Rule of Five, 3,5-dimethylphenyl 1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonate 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 3,5-dimethylphenyl 1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonate?
The CAS number of 3,5-dimethylphenyl 1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonate is 869070-38-2.
What is the molecular formula of 3,5-dimethylphenyl 1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonate?
The molecular formula of 3,5-dimethylphenyl 1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonate is C14H16N2O5S.
What is the molecular weight of 3,5-dimethylphenyl 1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonate?
The molecular weight of 3,5-dimethylphenyl 1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonate is 324.08 g/mol.
Where can I buy 3,5-dimethylphenyl 1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonate?
You can request a quote for 3,5-dimethylphenyl 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 3,5-dimethylphenyl 1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3,5-dimethylphenyl 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.