1-(2,4-dihydroxy-3,5-dinitro-phenyl)-ethanone
TL;DR: 1-(2,4-dihydroxy-3,5-dinitro-phenyl)-ethanone (CAS 54918-13-7) is a chemical compound with molecular formula C11H10FN3O5 and molecular weight 283.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,5R)-2-cyano-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
Also Known As: 1-(2,4-dihydroxy-3,5-dinitro-phenyl)-ethanone, 1,2-Dideoxy-1-(5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-erythro-Pentofuranurononitrile 3-acetate, [(2R,3S,5R)-2-Cyano-5-(5-Fluoro-2,4-Dioxo-Pyrimidin-1-ylOxolan-3-Yl] Acetate, [(2R,3S,5R)-2-cyano-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate, beta-D-erythro-Pentofuranurononitrile, 1,2-dideoxy-1-(5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-, 3-acetate
| Molecular Formula | C11H10FN3O5 |
|---|---|
| Molecular Weight | 283.06 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.06046 |
| Heavy Atoms | 20 |
| Complexity | 552.0 |
Chemical Identifiers
| CAS Number | 54918-13-7 |
|---|---|
| SMILES | CC(=O)O[C@H]1C[C@@H](O[C@@H]1C#N)N2C=C(C(=O)NC2=O)F |
| InChIKey | AFKNAAZDULHJHQ-DJLDLDEBSA-N |
Product Overview
1-(2,4-dihydroxy-3,5-dinitro-phenyl)-ethanone (CAS 54918-13-7), with molecular formula C11H10FN3O5 and molecular weight 283.06 g/mol. IUPAC: [(2R,3S,5R)-2-cyano-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate.
Chemical Property Profile of 1-(2,4-dihydroxy-3,5-dinitro-phenyl)-ethanone
Property Insights of 1-(2,4-dihydroxy-3,5-dinitro-phenyl)-ethanone
The XLogP value of -0.6 indicates that 1-(2,4-dihydroxy-3,5-dinitro-phenyl)-ethanone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,4-dihydroxy-3,5-dinitro-phenyl)-ethanone. Following Lipinski's Rule of Five, 1-(2,4-dihydroxy-3,5-dinitro-phenyl)-ethanone has 1 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-(2,4-dihydroxy-3,5-dinitro-phenyl)-ethanone?
The CAS number of 1-(2,4-dihydroxy-3,5-dinitro-phenyl)-ethanone is 54918-13-7.
What is the molecular formula of 1-(2,4-dihydroxy-3,5-dinitro-phenyl)-ethanone?
The molecular formula of 1-(2,4-dihydroxy-3,5-dinitro-phenyl)-ethanone is C11H10FN3O5.
What is the molecular weight of 1-(2,4-dihydroxy-3,5-dinitro-phenyl)-ethanone?
The molecular weight of 1-(2,4-dihydroxy-3,5-dinitro-phenyl)-ethanone is 283.06 g/mol.
Where can I buy 1-(2,4-dihydroxy-3,5-dinitro-phenyl)-ethanone?
You can request a quote for 1-(2,4-dihydroxy-3,5-dinitro-phenyl)-ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,4-dihydroxy-3,5-dinitro-phenyl)-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,4-dihydroxy-3,5-dinitro-phenyl)-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.