Oxathiolan 5FU-alpha
TL;DR: Oxathiolan 5FU-alpha (CAS 145986-12-5) is a chemical compound with molecular formula C8H9FN2O4S and molecular weight 248.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-fluoro-1-[(2R,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione
Also Known As: Oxathiolan 5FU-alpha, Oxathiolan 5FU-beta, Oxathiolan 5FU-.a., 2,4(1H,3H)-Pyrimidinedione, 5-fluoro-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-, (2R-trans)-, (+)-(2R,5R)-5-Fluoro-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)uracil
| Molecular Formula | C8H9FN2O4S |
|---|---|
| Molecular Weight | 248.03 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.0267 |
| Heavy Atoms | 16 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 145986-12-5 |
|---|---|
| SMILES | C1[C@@H](O[C@H](S1)CO)N2C=C(C(=O)NC2=O)F |
| InChIKey | KOGYOPLNKQJQFM-PHDIDXHHSA-N |
Product Overview
Oxathiolan 5FU-alpha (CAS 145986-12-5), with molecular formula C8H9FN2O4S and molecular weight 248.03 g/mol. IUPAC: 5-fluoro-1-[(2R,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione.
Chemical Property Profile of Oxathiolan 5FU-alpha
Property Insights of Oxathiolan 5FU-alpha
The XLogP value of -0.6 indicates that Oxathiolan 5FU-alpha is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxathiolan 5FU-alpha. Following Lipinski's Rule of Five, Oxathiolan 5FU-alpha has 2 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 Oxathiolan 5FU-alpha?
The CAS number of Oxathiolan 5FU-alpha is 145986-12-5.
What is the molecular formula of Oxathiolan 5FU-alpha?
The molecular formula of Oxathiolan 5FU-alpha is C8H9FN2O4S.
What is the molecular weight of Oxathiolan 5FU-alpha?
The molecular weight of Oxathiolan 5FU-alpha is 248.03 g/mol.
Where can I buy Oxathiolan 5FU-alpha?
You can request a quote for Oxathiolan 5FU-alpha directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxathiolan 5FU-alpha?
Yes, KEHONG BIO provides custom synthesis services for Oxathiolan 5FU-alpha and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.