5-((((2,4-Dihydroxy-5-pyrimidinyl)methyl)sulfonyl)methyl)-2,4-pyrimidinediol
TL;DR: 5-((((2,4-Dihydroxy-5-pyrimidinyl)methyl)sulfonyl)methyl)-2,4-pyrimidinediol (CAS 5230-07-9) is a chemical compound with molecular formula C10H10N4O6S and molecular weight 314.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2,4-dioxo-1H-pyrimidin-5-yl)methylsulfonylmethyl]-1H-pyrimidine-2,4-dione
Also Known As: NCIStruc1_001521, NCIStruc2_001586, NCI60_042116, 5,5'-(sulfonyldimethanediyl)dipyrimidine-2,4(1h,3h)-dione, 5-((((2,4-dihydroxy-5-pyrimidinyl)methyl)sulfonyl)methyl)-2,4-pyrimidinediol
| Molecular Formula | C10H10N4O6S |
|---|---|
| Molecular Weight | 314.03 g/mol |
| LogP | -3.2 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.0321 |
| Heavy Atoms | 21 |
| Complexity | 646.0 |
Chemical Identifiers
| CAS Number | 5230-07-9 |
|---|---|
| SMILES | C1=C(C(=O)NC(=O)N1)CS(=O)(=O)CC2=CNC(=O)NC2=O |
| InChIKey | URMHILYYFZOYSQ-UHFFFAOYSA-N |
Product Overview
5-((((2,4-Dihydroxy-5-pyrimidinyl)methyl)sulfonyl)methyl)-2,4-pyrimidinediol (CAS 5230-07-9), with molecular formula C10H10N4O6S and molecular weight 314.03 g/mol. IUPAC: 5-[(2,4-dioxo-1H-pyrimidin-5-yl)methylsulfonylmethyl]-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 5-((((2,4-Dihydroxy-5-pyrimidinyl)methyl)sulfonyl)methyl)-2,4-pyrimidinediol
Property Insights of 5-((((2,4-Dihydroxy-5-pyrimidinyl)methyl)sulfonyl)methyl)-2,4-pyrimidinediol
The XLogP value of -3.2 indicates that 5-((((2,4-Dihydroxy-5-pyrimidinyl)methyl)sulfonyl)methyl)-2,4-pyrimidinediol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 159.0 Ų indicates high polarity, suggesting 5-((((2,4-Dihydroxy-5-pyrimidinyl)methyl)sulfonyl)methyl)-2,4-pyrimidinediol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-((((2,4-Dihydroxy-5-pyrimidinyl)methyl)sulfonyl)methyl)-2,4-pyrimidinediol has 4 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 5-((((2,4-Dihydroxy-5-pyrimidinyl)methyl)sulfonyl)methyl)-2,4-pyrimidinediol?
The CAS number of 5-((((2,4-Dihydroxy-5-pyrimidinyl)methyl)sulfonyl)methyl)-2,4-pyrimidinediol is 5230-07-9.
What is the molecular formula of 5-((((2,4-Dihydroxy-5-pyrimidinyl)methyl)sulfonyl)methyl)-2,4-pyrimidinediol?
The molecular formula of 5-((((2,4-Dihydroxy-5-pyrimidinyl)methyl)sulfonyl)methyl)-2,4-pyrimidinediol is C10H10N4O6S.
What is the molecular weight of 5-((((2,4-Dihydroxy-5-pyrimidinyl)methyl)sulfonyl)methyl)-2,4-pyrimidinediol?
The molecular weight of 5-((((2,4-Dihydroxy-5-pyrimidinyl)methyl)sulfonyl)methyl)-2,4-pyrimidinediol is 314.03 g/mol.
Where can I buy 5-((((2,4-Dihydroxy-5-pyrimidinyl)methyl)sulfonyl)methyl)-2,4-pyrimidinediol?
You can request a quote for 5-((((2,4-Dihydroxy-5-pyrimidinyl)methyl)sulfonyl)methyl)-2,4-pyrimidinediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-((((2,4-Dihydroxy-5-pyrimidinyl)methyl)sulfonyl)methyl)-2,4-pyrimidinediol?
Yes, KEHONG BIO provides custom synthesis services for 5-((((2,4-Dihydroxy-5-pyrimidinyl)methyl)sulfonyl)methyl)-2,4-pyrimidinediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.