2,4-Dinitrophenyl 2-Deoxy-2-Fluoro-Beta-D-Allopyranoside
TL;DR: 2,4-Dinitrophenyl 2-Deoxy-2-Fluoro-Beta-D-Allopyranoside (CAS 111495-86-4) is a chemical compound with molecular formula C12H13FN2O9 and molecular weight 348.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S,4S,5R,6S)-6-(2,4-dinitrophenoxy)-5-fluoro-2-(hydroxymethyl)oxane-3,4-diol
Also Known As: Dinitroph-dfgp, Lopac0_000376, 2,4-Dinitrophenyl 2-Deoxy-2-Fluoro-Beta-D-Glucopyranoside, 2,4-Dinitrophenyl 2-fluoro-2-deoxy-beta-D-glucopyranoside, 2,4-Dinitrophenyl 2-deoxy-2-fluoro-b-D-glucopyranoside
| Molecular Formula | C12H13FN2O9 |
|---|---|
| Molecular Weight | 348.06 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 171.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.06052 |
| Heavy Atoms | 24 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 111495-86-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)F |
| InChIKey | UFSBFVZQJZMIOU-LZQZFOIKSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Dinitrophenyl 2-Deoxy-2-Fluoro-Beta-D-Allopyranoside (CAS 111495-86-4), with molecular formula C12H13FN2O9 and molecular weight 348.06 g/mol. IUPAC: (2R,3S,4S,5R,6S)-6-(2,4-dinitrophenoxy)-5-fluoro-2-(hydroxymethyl)oxane-3,4-diol.
Chemical Property Profile of 2,4-Dinitrophenyl 2-Deoxy-2-Fluoro-Beta-D-Allopyranoside
Property Insights of 2,4-Dinitrophenyl 2-Deoxy-2-Fluoro-Beta-D-Allopyranoside
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dinitrophenyl 2-Deoxy-2-Fluoro-Beta-D-Allopyranoside. The TPSA of 171.0 Ų indicates high polarity, suggesting 2,4-Dinitrophenyl 2-Deoxy-2-Fluoro-Beta-D-Allopyranoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4-Dinitrophenyl 2-Deoxy-2-Fluoro-Beta-D-Allopyranoside has 3 hydrogen bond donor(s) and 10 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 2,4-Dinitrophenyl 2-Deoxy-2-Fluoro-Beta-D-Allopyranoside?
The CAS number of 2,4-Dinitrophenyl 2-Deoxy-2-Fluoro-Beta-D-Allopyranoside is 111495-86-4.
What is the molecular formula of 2,4-Dinitrophenyl 2-Deoxy-2-Fluoro-Beta-D-Allopyranoside?
The molecular formula of 2,4-Dinitrophenyl 2-Deoxy-2-Fluoro-Beta-D-Allopyranoside is C12H13FN2O9.
What is the molecular weight of 2,4-Dinitrophenyl 2-Deoxy-2-Fluoro-Beta-D-Allopyranoside?
The molecular weight of 2,4-Dinitrophenyl 2-Deoxy-2-Fluoro-Beta-D-Allopyranoside is 348.06 g/mol.
Where can I buy 2,4-Dinitrophenyl 2-Deoxy-2-Fluoro-Beta-D-Allopyranoside?
You can request a quote for 2,4-Dinitrophenyl 2-Deoxy-2-Fluoro-Beta-D-Allopyranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dinitrophenyl 2-Deoxy-2-Fluoro-Beta-D-Allopyranoside?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dinitrophenyl 2-Deoxy-2-Fluoro-Beta-D-Allopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.