Methyl 4-(2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido)benzoate
TL;DR: Methyl 4-(2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido)benzoate (CAS 897622-99-0) is a chemical compound with molecular formula C12H11N3O6S and molecular weight 325.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]benzoate
Also Known As: AB00679262-01, F2526-0103, methyl 4-(2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido)benzoate, methyl 4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]benzoate
| Molecular Formula | C12H11N3O6S |
|---|---|
| Molecular Weight | 325.04 g/mol |
| LogP | -0.3494 |
| Topological Polar Surface Area | 138.19 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.03687 |
| Heavy Atoms | 22 |
| Complexity | 910.86804 |
Chemical Identifiers
| CAS Number | 897622-99-0 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CNC(=O)NC2=O |
Product Overview
Methyl 4-(2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido)benzoate (CAS 897622-99-0), with molecular formula C12H11N3O6S and molecular weight 325.04 g/mol. IUPAC: methyl 4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]benzoate.
Chemical Property Profile of Methyl 4-(2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido)benzoate
Property Insights of Methyl 4-(2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido)benzoate
The XLogP value of -0.3494 indicates that Methyl 4-(2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido)benzoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 138.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido)benzoate. Following Lipinski's Rule of Five, Methyl 4-(2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido)benzoate has 3 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 Methyl 4-(2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido)benzoate?
The CAS number of Methyl 4-(2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido)benzoate is 897622-99-0.
What is the molecular formula of Methyl 4-(2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido)benzoate?
The molecular formula of Methyl 4-(2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido)benzoate is C12H11N3O6S.
What is the molecular weight of Methyl 4-(2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido)benzoate?
The molecular weight of Methyl 4-(2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido)benzoate is 325.04 g/mol.
Where can I buy Methyl 4-(2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido)benzoate?
You can request a quote for Methyl 4-(2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.