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1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-pyrrole
TL;DR: 1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-pyrrole (CAS 136773-58-5) is a chemical compound with molecular formula C11H7F3N2O2 and molecular weight 256.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-nitro-4-(trifluoromethyl)phenyl]pyrrole
Also Known As: 1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-pyrrole, 1-[2-nitro-4-(trifluoromethyl)phenyl]pyrrole, 1-(2-Nitro-4-(trifluoromethyl)phenyl)-1H-pyrrole, [2-nitro-4-(trifluoromethyl)phenyl]pyrrole, 1H-Pyrrole, 1-[2-nitro-4-(trifluoromethyl)phenyl]-
| Molecular Formula | C11H7F3N2O2 |
|---|---|
| Molecular Weight | 256.05 g/mol |
| LogP | 3.4043 |
| Topological Polar Surface Area | 48.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.04596 |
| Heavy Atoms | 18 |
| Complexity | 576.4694 |
Chemical Identifiers
| CAS Number | 136773-58-5 |
|---|---|
| SMILES | C1=CN(C=C1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] |
Product Overview
1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-pyrrole (CAS 136773-58-5), with molecular formula C11H7F3N2O2 and molecular weight 256.05 g/mol. IUPAC: 1-[2-nitro-4-(trifluoromethyl)phenyl]pyrrole.
Chemical Property Profile of 1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-pyrrole
Property Insights of 1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-pyrrole
The XLogP value of 3.4043 indicates that 1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-pyrrole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.07 Ų, 1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-pyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-pyrrole 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 1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-pyrrole?
The CAS number of 1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-pyrrole is 136773-58-5.
What is the molecular formula of 1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-pyrrole?
The molecular formula of 1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-pyrrole is C11H7F3N2O2.
What is the molecular weight of 1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-pyrrole?
The molecular weight of 1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-pyrrole is 256.05 g/mol.
Where can I buy 1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-pyrrole?
You can request a quote for 1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-pyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-pyrrole?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-pyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.