trans-2,3,4,5,6-Pentafluoro-beta-nitrostyrene
TL;DR: trans-2,3,4,5,6-Pentafluoro-beta-nitrostyrene (CAS 885-31-4) is a chemical compound with molecular formula C8H2F5NO2 and molecular weight 239.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,4,5-pentafluoro-6-[(E)-2-nitroethenyl]benzene
Also Known As: trans-2,3,4,5,6-Pentafluoro-beta-nitrostyrene, 1,2,3,4,5-pentafluoro-6-(2-nitroethenyl)benzene, 1,2,3,4,5-pentafluoro-6-[(E)-2-nitroethenyl]benzene, trans-2 3 4 5 6-pentafluoro-beta-nitro-&, trans-2,3,4,5,6-Pentafluoro-
| Molecular Formula | C8H2F5NO2 |
|---|---|
| Molecular Weight | 239.00 g/mol |
| LogP | 2.6295 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.00056 |
| Heavy Atoms | 16 |
| Complexity | 456.8024 |
Chemical Identifiers
| CAS Number | 885-31-4 |
|---|---|
| SMILES | C(=C/[N+](=O)[O-])\C1=C(C(=C(C(=C1F)F)F)F)F |
Product Overview
trans-2,3,4,5,6-Pentafluoro-beta-nitrostyrene (CAS 885-31-4), with molecular formula C8H2F5NO2 and molecular weight 239.00 g/mol. IUPAC: 1,2,3,4,5-pentafluoro-6-[(E)-2-nitroethenyl]benzene.
Chemical Property Profile of trans-2,3,4,5,6-Pentafluoro-beta-nitrostyrene
Property Insights of trans-2,3,4,5,6-Pentafluoro-beta-nitrostyrene
The XLogP value of 2.6295 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-2,3,4,5,6-Pentafluoro-beta-nitrostyrene. With a topological polar surface area (TPSA) of 43.14 Ų, trans-2,3,4,5,6-Pentafluoro-beta-nitrostyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-2,3,4,5,6-Pentafluoro-beta-nitrostyrene has 0 hydrogen bond donor(s) and 2 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 trans-2,3,4,5,6-Pentafluoro-beta-nitrostyrene?
The CAS number of trans-2,3,4,5,6-Pentafluoro-beta-nitrostyrene is 885-31-4.
What is the molecular formula of trans-2,3,4,5,6-Pentafluoro-beta-nitrostyrene?
The molecular formula of trans-2,3,4,5,6-Pentafluoro-beta-nitrostyrene is C8H2F5NO2.
What is the molecular weight of trans-2,3,4,5,6-Pentafluoro-beta-nitrostyrene?
The molecular weight of trans-2,3,4,5,6-Pentafluoro-beta-nitrostyrene is 239.00 g/mol.
Where can I buy trans-2,3,4,5,6-Pentafluoro-beta-nitrostyrene?
You can request a quote for trans-2,3,4,5,6-Pentafluoro-beta-nitrostyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-2,3,4,5,6-Pentafluoro-beta-nitrostyrene?
Yes, KEHONG BIO provides custom synthesis services for trans-2,3,4,5,6-Pentafluoro-beta-nitrostyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.