4-Fluoro-2,2,4,4-tetranitrobutan-1-ol
TL;DR: 4-Fluoro-2,2,4,4-tetranitrobutan-1-ol (CAS 22692-29-1) is a chemical compound with molecular formula C4H5FN4O9 and molecular weight 272.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluoro-2,2,4,4-tetranitrobutan-1-ol
Also Known As: 4-fluoro-2,2,4,4-tetranitrobutan-1-ol, 4-fluoro-2,2,4,4-tetranitro-1-butanol, 4-fluoro-2,2,4,4-tetranitro-butan-1-ol
| Molecular Formula | C4H5FN4O9 |
|---|---|
| Molecular Weight | 272.00 g/mol |
| LogP | -1.2048 |
| Topological Polar Surface Area | 192.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 272.00406 |
| Heavy Atoms | 18 |
| Complexity | 381.37183 |
Chemical Identifiers
| CAS Number | 22692-29-1 |
|---|---|
| SMILES | C(C(CO)([N+](=O)[O-])[N+](=O)[O-])C([N+](=O)[O-])([N+](=O)[O-])F |
Product Overview
4-Fluoro-2,2,4,4-tetranitrobutan-1-ol (CAS 22692-29-1), with molecular formula C4H5FN4O9 and molecular weight 272.00 g/mol. IUPAC: 4-fluoro-2,2,4,4-tetranitrobutan-1-ol.
Chemical Property Profile of 4-Fluoro-2,2,4,4-tetranitrobutan-1-ol
Property Insights of 4-Fluoro-2,2,4,4-tetranitrobutan-1-ol
The XLogP value of -1.2048 indicates that 4-Fluoro-2,2,4,4-tetranitrobutan-1-ol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 192.79 Ų indicates high polarity, suggesting 4-Fluoro-2,2,4,4-tetranitrobutan-1-ol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Fluoro-2,2,4,4-tetranitrobutan-1-ol has 1 hydrogen bond donor(s) and 9 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 4-Fluoro-2,2,4,4-tetranitrobutan-1-ol?
The CAS number of 4-Fluoro-2,2,4,4-tetranitrobutan-1-ol is 22692-29-1.
What is the molecular formula of 4-Fluoro-2,2,4,4-tetranitrobutan-1-ol?
The molecular formula of 4-Fluoro-2,2,4,4-tetranitrobutan-1-ol is C4H5FN4O9.
What is the molecular weight of 4-Fluoro-2,2,4,4-tetranitrobutan-1-ol?
The molecular weight of 4-Fluoro-2,2,4,4-tetranitrobutan-1-ol is 272.00 g/mol.
Where can I buy 4-Fluoro-2,2,4,4-tetranitrobutan-1-ol?
You can request a quote for 4-Fluoro-2,2,4,4-tetranitrobutan-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluoro-2,2,4,4-tetranitrobutan-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluoro-2,2,4,4-tetranitrobutan-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.