1,2-Dideoxy-1-(5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-erythro-Pentofuranurononitrile
TL;DR: 1,2-Dideoxy-1-(5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-erythro-Pentofuranurononitrile (CAS 54918-10-4) is a chemical compound with molecular formula C9H8FN3O4 and molecular weight 241.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolane-2-carbonitrile
Also Known As: 1,2-Dideoxy-1-(5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-erythro-Pentofuranurononitrile, beta-D-erythro-Pentofuranurononitrile, 1,2-dideoxy-1-(5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-, (2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolane-2-carbonitrile, (2S,3S,5R)-5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-oxolane-2-carbonitrile, .beta.-D-erythro-Pentofuranurononitrile, 1,2-dideoxy-1-(5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-
| Molecular Formula | C9H8FN3O4 |
|---|---|
| Molecular Weight | 241.05 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 241.04988 |
| Heavy Atoms | 17 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 54918-10-4 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)C#N)O |
| InChIKey | NAYWDPCVMGTHMW-RRKCRQDMSA-N |
Product Overview
1,2-Dideoxy-1-(5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-erythro-Pentofuranurononitrile (CAS 54918-10-4), with molecular formula C9H8FN3O4 and molecular weight 241.05 g/mol. IUPAC: (2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolane-2-carbonitrile.
Chemical Property Profile of 1,2-Dideoxy-1-(5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-erythro-Pentofuranurononitrile
Property Insights of 1,2-Dideoxy-1-(5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-erythro-Pentofuranurononitrile
The XLogP value of -0.7 indicates that 1,2-Dideoxy-1-(5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-erythro-Pentofuranurononitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Dideoxy-1-(5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-erythro-Pentofuranurononitrile. Following Lipinski's Rule of Five, 1,2-Dideoxy-1-(5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-erythro-Pentofuranurononitrile 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 1,2-Dideoxy-1-(5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-erythro-Pentofuranurononitrile?
The CAS number of 1,2-Dideoxy-1-(5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-erythro-Pentofuranurononitrile is 54918-10-4.
What is the molecular formula of 1,2-Dideoxy-1-(5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-erythro-Pentofuranurononitrile?
The molecular formula of 1,2-Dideoxy-1-(5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-erythro-Pentofuranurononitrile is C9H8FN3O4.
What is the molecular weight of 1,2-Dideoxy-1-(5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-erythro-Pentofuranurononitrile?
The molecular weight of 1,2-Dideoxy-1-(5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-erythro-Pentofuranurononitrile is 241.05 g/mol.
Where can I buy 1,2-Dideoxy-1-(5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-erythro-Pentofuranurononitrile?
You can request a quote for 1,2-Dideoxy-1-(5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-erythro-Pentofuranurononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Dideoxy-1-(5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-erythro-Pentofuranurononitrile?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dideoxy-1-(5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-erythro-Pentofuranurononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.