Butane, 4-fluoro-1-nitro-
TL;DR: Butane, 4-fluoro-1-nitro- (CAS 372-82-7) is a chemical compound with molecular formula C4H8FNO2 and molecular weight 121.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-fluoro-4-nitrobutane
Also Known As: 1-fluoro-4-nitrobutane, 4-Fluoro-1-nitrobutane, BUTANE, 4-FLUORO-1-NITRO-, 1-fluoro-4-nitro-butane, 4-01-00-00278 (Beilstein Handbook Reference)
| Molecular Formula | C4H8FNO2 |
|---|---|
| Molecular Weight | 121.05 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 121.05391 |
| Heavy Atoms | 8 |
| Complexity | 70.0 |
Chemical Identifiers
| CAS Number | 372-82-7 |
|---|---|
| SMILES | C(CCF)C[N+](=O)[O-] |
| InChIKey | KAWJTSCSPSPVND-UHFFFAOYSA-N |
Product Overview
Butane, 4-fluoro-1-nitro- (CAS 372-82-7), with molecular formula C4H8FNO2 and molecular weight 121.05 g/mol. IUPAC: 1-fluoro-4-nitrobutane.
Chemical Property Profile of Butane, 4-fluoro-1-nitro-
Property Insights of Butane, 4-fluoro-1-nitro-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butane, 4-fluoro-1-nitro-. With a topological polar surface area (TPSA) of 45.8 Ų, Butane, 4-fluoro-1-nitro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butane, 4-fluoro-1-nitro- has 0 hydrogen bond donor(s) and 3 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 Butane, 4-fluoro-1-nitro-?
The CAS number of Butane, 4-fluoro-1-nitro- is 372-82-7.
What is the molecular formula of Butane, 4-fluoro-1-nitro-?
The molecular formula of Butane, 4-fluoro-1-nitro- is C4H8FNO2.
What is the molecular weight of Butane, 4-fluoro-1-nitro-?
The molecular weight of Butane, 4-fluoro-1-nitro- is 121.05 g/mol.
Where can I buy Butane, 4-fluoro-1-nitro-?
You can request a quote for Butane, 4-fluoro-1-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butane, 4-fluoro-1-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Butane, 4-fluoro-1-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.