(3-Methylphenyl) 1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonate
TL;DR: (3-Methylphenyl) 1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonate (CAS 869070-36-0) is a chemical compound with molecular formula C13H14N2O5S and molecular weight 310.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methylphenyl) 1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonate
Also Known As: (3-methylphenyl) 1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonate, F1850-0003, m-tolyl 1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonate, 3-methylphenyl 1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonate
| Molecular Formula | C13H14N2O5S |
|---|---|
| Molecular Weight | 310.06 g/mol |
| LogP | 0.16012 |
| Topological Polar Surface Area | 87.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.06235 |
| Heavy Atoms | 21 |
| Complexity | 908.88934 |
Chemical Identifiers
| CAS Number | 869070-36-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OS(=O)(=O)C2=CN(C(=O)N(C2=O)C)C |
Product Overview
(3-Methylphenyl) 1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonate (CAS 869070-36-0), with molecular formula C13H14N2O5S and molecular weight 310.06 g/mol. IUPAC: (3-methylphenyl) 1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonate.
Chemical Property Profile of (3-Methylphenyl) 1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonate
Property Insights of (3-Methylphenyl) 1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonate
The XLogP value of 0.16012 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Methylphenyl) 1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonate. The TPSA of 87.37 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Methylphenyl) 1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonate. Following Lipinski's Rule of Five, (3-Methylphenyl) 1,3-dimethyl-2,4-dioxopyrimidine-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-Methylphenyl) 1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonate?
The CAS number of (3-Methylphenyl) 1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonate is 869070-36-0.
What is the molecular formula of (3-Methylphenyl) 1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonate?
The molecular formula of (3-Methylphenyl) 1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonate is C13H14N2O5S.
What is the molecular weight of (3-Methylphenyl) 1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonate?
The molecular weight of (3-Methylphenyl) 1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonate is 310.06 g/mol.
Where can I buy (3-Methylphenyl) 1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonate?
You can request a quote for (3-Methylphenyl) 1,3-dimethyl-2,4-dioxopyrimidine-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-Methylphenyl) 1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for (3-Methylphenyl) 1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.