![5-(3,6-dioxocyclohexa-1,4-dien-1-yl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione structure](/static/products/874/87414-25-3.png)
5-(3,6-dioxocyclohexa-1,4-dien-1-yl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
TL;DR: 5-(3,6-dioxocyclohexa-1,4-dien-1-yl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione (CAS 87414-25-3) is a chemical compound with molecular formula C15H14N2O7 and molecular weight 334.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3,6-dioxocyclohexa-1,4-dien-1-yl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Also Known As: 5-(3,6-dioxocyclohexa-1,4-dien-1-yl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione, 1-(2-Deoxypentofuranosyl)-5-(3,6-dioxocyclohexa-1,4-dien-1-yl)pyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C15H14N2O7 |
|---|---|
| Molecular Weight | 334.08 g/mol |
| LogP | -1.8 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 334.0801 |
| Heavy Atoms | 24 |
| Complexity | 721.0 |
Chemical Identifiers
| CAS Number | 87414-25-3 |
|---|---|
| SMILES | C1C(C(OC1N2C=C(C(=O)NC2=O)C3=CC(=O)C=CC3=O)CO)O |
| InChIKey | MDGPYHVFELBDEI-UHFFFAOYSA-N |
Product Overview
5-(3,6-dioxocyclohexa-1,4-dien-1-yl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione (CAS 87414-25-3), with molecular formula C15H14N2O7 and molecular weight 334.08 g/mol. IUPAC: 5-(3,6-dioxocyclohexa-1,4-dien-1-yl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.
Chemical Property Profile of 5-(3,6-dioxocyclohexa-1,4-dien-1-yl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Property Insights of 5-(3,6-dioxocyclohexa-1,4-dien-1-yl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
The XLogP value of -1.8 indicates that 5-(3,6-dioxocyclohexa-1,4-dien-1-yl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3,6-dioxocyclohexa-1,4-dien-1-yl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione. Following Lipinski's Rule of Five, 5-(3,6-dioxocyclohexa-1,4-dien-1-yl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione has 3 hydrogen bond donor(s) and 7 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-(3,6-dioxocyclohexa-1,4-dien-1-yl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The CAS number of 5-(3,6-dioxocyclohexa-1,4-dien-1-yl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is 87414-25-3.
What is the molecular formula of 5-(3,6-dioxocyclohexa-1,4-dien-1-yl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The molecular formula of 5-(3,6-dioxocyclohexa-1,4-dien-1-yl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is C15H14N2O7.
What is the molecular weight of 5-(3,6-dioxocyclohexa-1,4-dien-1-yl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The molecular weight of 5-(3,6-dioxocyclohexa-1,4-dien-1-yl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is 334.08 g/mol.
Where can I buy 5-(3,6-dioxocyclohexa-1,4-dien-1-yl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
You can request a quote for 5-(3,6-dioxocyclohexa-1,4-dien-1-yl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3,6-dioxocyclohexa-1,4-dien-1-yl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(3,6-dioxocyclohexa-1,4-dien-1-yl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.