1-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-thiophen-2-yl-1H-pyrimidine-2,4-dione
TL;DR: 1-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-thiophen-2-yl-1H-pyrimidine-2,4-dione (CAS 134333-65-6) is a chemical compound with molecular formula C13H14N2O6S and molecular weight 326.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-thiophen-2-ylpyrimidine-2,4-dione
Also Known As: 1-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-thiophen-2-yl-1H-pyrimidine-2,4-dione, 5-(2-Thienyl)-1-(beta-D-arabinofuranosyl)uracil, 4-Hydroxy-1-pentofuranosyl-5-(thiophen-2-yl)pyrimidin-2(1H)-one, 1-beta-D-Arabinofuranosyl-4-hydroxy-5-(thiophen-2-yl)pyrimidin-2(1H)-one, 1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
| Molecular Formula | C13H14N2O6S |
|---|---|
| Molecular Weight | 326.06 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 148.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.05725 |
| Heavy Atoms | 22 |
| Complexity | 513.0 |
Chemical Identifiers
| CAS Number | 134333-65-6 |
|---|---|
| SMILES | C1=CSC(=C1)C2=CN(C(=O)NC2=O)[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O |
| InChIKey | DCIPFACYLTURBG-ZIYJGFGOSA-N |
Product Overview
1-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-thiophen-2-yl-1H-pyrimidine-2,4-dione (CAS 134333-65-6), with molecular formula C13H14N2O6S and molecular weight 326.06 g/mol. IUPAC: 1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-thiophen-2-ylpyrimidine-2,4-dione.
Chemical Property Profile of 1-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-thiophen-2-yl-1H-pyrimidine-2,4-dione
Property Insights of 1-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-thiophen-2-yl-1H-pyrimidine-2,4-dione
The XLogP value of -0.6 indicates that 1-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-thiophen-2-yl-1H-pyrimidine-2,4-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 148.0 Ų indicates high polarity, suggesting 1-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-thiophen-2-yl-1H-pyrimidine-2,4-dione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-thiophen-2-yl-1H-pyrimidine-2,4-dione has 4 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 1-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-thiophen-2-yl-1H-pyrimidine-2,4-dione?
The CAS number of 1-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-thiophen-2-yl-1H-pyrimidine-2,4-dione is 134333-65-6.
What is the molecular formula of 1-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-thiophen-2-yl-1H-pyrimidine-2,4-dione?
The molecular formula of 1-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-thiophen-2-yl-1H-pyrimidine-2,4-dione is C13H14N2O6S.
What is the molecular weight of 1-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-thiophen-2-yl-1H-pyrimidine-2,4-dione?
The molecular weight of 1-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-thiophen-2-yl-1H-pyrimidine-2,4-dione is 326.06 g/mol.
Where can I buy 1-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-thiophen-2-yl-1H-pyrimidine-2,4-dione?
You can request a quote for 1-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-thiophen-2-yl-1H-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 1-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-thiophen-2-yl-1H-pyrimidine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-thiophen-2-yl-1H-pyrimidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.