Obafluorin
TL;DR: Obafluorin (CAS 92121-68-1) is a chemical compound with molecular formula C17H14N2O7 and molecular weight 358.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dihydroxy-N-[(2R,3S)-2-[(4-nitrophenyl)methyl]-4-oxooxetan-3-yl]benzamide
Also Known As: Obafluorin, (+)-Obafluorin, 2,3-dihydroxy-N-[(2R,3S)-2-[(4-nitrophenyl)methyl]-4-oxooxetan-3-yl]benzamide, 2,3-dihydroxy-N-[(2R,3S)-2-[(4-nitrophenyl)methyl]-4-oxo-3-oxetanyl]-benzamide, 2,3-Dihydroxy-N-((2R,3S)-2-(4-nitrobenzyl)-4-oxooxetan-3-yl)benzamide
| Molecular Formula | C17H14N2O7 |
|---|---|
| Molecular Weight | 358.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.0801 |
| Heavy Atoms | 26 |
| Complexity | 556.0 |
Chemical Identifiers
| CAS Number | 92121-68-1 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)O)O)C(=O)N[C@H]2[C@H](OC2=O)CC3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | AINNQKIVZOTQBB-KGLIPLIRSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Obafluorin (CAS 92121-68-1), with molecular formula C17H14N2O7 and molecular weight 358.08 g/mol. IUPAC: 2,3-dihydroxy-N-[(2R,3S)-2-[(4-nitrophenyl)methyl]-4-oxooxetan-3-yl]benzamide.
Chemical Property Profile of Obafluorin
Property Insights of Obafluorin
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Obafluorin. The TPSA of 142.0 Ų indicates high polarity, suggesting Obafluorin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Obafluorin has 3 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 Obafluorin?
The CAS number of Obafluorin is 92121-68-1.
What is the molecular formula of Obafluorin?
The molecular formula of Obafluorin is C17H14N2O7.
What is the molecular weight of Obafluorin?
The molecular weight of Obafluorin is 358.08 g/mol.
Where can I buy Obafluorin?
You can request a quote for Obafluorin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Obafluorin?
Yes, KEHONG BIO provides custom synthesis services for Obafluorin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.