1-(2'-Tetrahydrothienyl) 5-fluorouracil
TL;DR: 1-(2'-Tetrahydrothienyl) 5-fluorouracil (CAS 68321-44-8) is a chemical compound with molecular formula C8H9FN2O2S and molecular weight 216.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-fluoro-1-(thiolan-2-yl)pyrimidine-2,4-dione
Also Known As: 1-FUS, 1-(2'-Tetrahydrothienyl) 5-fluorouracil, 5-fluoro-1-(thiolan-2-yl)pyrimidine-2,4-dione, 2,4(1H,3H)-Pyrimidinedione, 5-fluoro-1-(tetrahydro-2-thienyl)-, 2-(5-Fluorouracil-1-yl)tetrahydrothiophene
| Molecular Formula | C8H9FN2O2S |
|---|---|
| Molecular Weight | 216.04 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 74.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.03688 |
| Heavy Atoms | 14 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 68321-44-8 |
|---|---|
| SMILES | C1CC(SC1)N2C=C(C(=O)NC2=O)F |
| InChIKey | PLCFCSKGIXYEOZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2'-Tetrahydrothienyl) 5-fluorouracil (CAS 68321-44-8), with molecular formula C8H9FN2O2S and molecular weight 216.04 g/mol. IUPAC: 5-fluoro-1-(thiolan-2-yl)pyrimidine-2,4-dione.
Chemical Property Profile of 1-(2'-Tetrahydrothienyl) 5-fluorouracil
Property Insights of 1-(2'-Tetrahydrothienyl) 5-fluorouracil
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2'-Tetrahydrothienyl) 5-fluorouracil. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2'-Tetrahydrothienyl) 5-fluorouracil. Following Lipinski's Rule of Five, 1-(2'-Tetrahydrothienyl) 5-fluorouracil has 1 hydrogen bond donor(s) and 4 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-(2'-Tetrahydrothienyl) 5-fluorouracil?
The CAS number of 1-(2'-Tetrahydrothienyl) 5-fluorouracil is 68321-44-8.
What is the molecular formula of 1-(2'-Tetrahydrothienyl) 5-fluorouracil?
The molecular formula of 1-(2'-Tetrahydrothienyl) 5-fluorouracil is C8H9FN2O2S.
What is the molecular weight of 1-(2'-Tetrahydrothienyl) 5-fluorouracil?
The molecular weight of 1-(2'-Tetrahydrothienyl) 5-fluorouracil is 216.04 g/mol.
Where can I buy 1-(2'-Tetrahydrothienyl) 5-fluorouracil?
You can request a quote for 1-(2'-Tetrahydrothienyl) 5-fluorouracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2'-Tetrahydrothienyl) 5-fluorouracil?
Yes, KEHONG BIO provides custom synthesis services for 1-(2'-Tetrahydrothienyl) 5-fluorouracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.