(E,5E)-1,1,1-trifluoro-5-(1,3,3-trimethyl-6-nitroindol-2-ylidene)pent-3-en-2-one
TL;DR: (E,5E)-1,1,1-trifluoro-5-(1,3,3-trimethyl-6-nitroindol-2-ylidene)pent-3-en-2-one (CAS 379239-99-3) is a chemical compound with molecular formula C16H15F3N2O3 and molecular weight 340.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E,5E)-1,1,1-trifluoro-5-(1,3,3-trimethyl-6-nitroindol-2-ylidene)pent-3-en-2-one
Also Known As: 1,1,1-trifluoro-5-(1,3,3-trimethyl-6-nitro-2,3-dihydro-1H-indol-2-ylidene)pent-3-en-2-one, (3E)-1,1,1-trifluoro-5-[(2Z)-1,3,3-trimethyl-6-nitro-2,3-dihydro-1H-indol-2-ylidene]pent-3-en-2-one
| Molecular Formula | C16H15F3N2O3 |
|---|---|
| Molecular Weight | 340.10 g/mol |
| LogP | 3.8937 |
| Topological Polar Surface Area | 63.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.1035 |
| Heavy Atoms | 24 |
| Complexity | 764.3214 |
Chemical Identifiers
| CAS Number | 379239-99-3 |
|---|---|
| SMILES | CC\1(C2=C(C=C(C=C2)[N+](=O)[O-])N(/C1=C/C=C/C(=O)C(F)(F)F)C)C |
Product Overview
(E,5E)-1,1,1-trifluoro-5-(1,3,3-trimethyl-6-nitroindol-2-ylidene)pent-3-en-2-one (CAS 379239-99-3), with molecular formula C16H15F3N2O3 and molecular weight 340.10 g/mol. IUPAC: (E,5E)-1,1,1-trifluoro-5-(1,3,3-trimethyl-6-nitroindol-2-ylidene)pent-3-en-2-one.
Chemical Property Profile of (E,5E)-1,1,1-trifluoro-5-(1,3,3-trimethyl-6-nitroindol-2-ylidene)pent-3-en-2-one
Property Insights of (E,5E)-1,1,1-trifluoro-5-(1,3,3-trimethyl-6-nitroindol-2-ylidene)pent-3-en-2-one
The XLogP value of 3.8937 indicates that (E,5E)-1,1,1-trifluoro-5-(1,3,3-trimethyl-6-nitroindol-2-ylidene)pent-3-en-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.45 Ų falls within the moderate polarity range, balancing permeability and solubility for (E,5E)-1,1,1-trifluoro-5-(1,3,3-trimethyl-6-nitroindol-2-ylidene)pent-3-en-2-one. Following Lipinski's Rule of Five, (E,5E)-1,1,1-trifluoro-5-(1,3,3-trimethyl-6-nitroindol-2-ylidene)pent-3-en-2-one has 0 hydrogen bond donor(s) and 4 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 (E,5E)-1,1,1-trifluoro-5-(1,3,3-trimethyl-6-nitroindol-2-ylidene)pent-3-en-2-one?
The CAS number of (E,5E)-1,1,1-trifluoro-5-(1,3,3-trimethyl-6-nitroindol-2-ylidene)pent-3-en-2-one is 379239-99-3.
What is the molecular formula of (E,5E)-1,1,1-trifluoro-5-(1,3,3-trimethyl-6-nitroindol-2-ylidene)pent-3-en-2-one?
The molecular formula of (E,5E)-1,1,1-trifluoro-5-(1,3,3-trimethyl-6-nitroindol-2-ylidene)pent-3-en-2-one is C16H15F3N2O3.
What is the molecular weight of (E,5E)-1,1,1-trifluoro-5-(1,3,3-trimethyl-6-nitroindol-2-ylidene)pent-3-en-2-one?
The molecular weight of (E,5E)-1,1,1-trifluoro-5-(1,3,3-trimethyl-6-nitroindol-2-ylidene)pent-3-en-2-one is 340.10 g/mol.
Where can I buy (E,5E)-1,1,1-trifluoro-5-(1,3,3-trimethyl-6-nitroindol-2-ylidene)pent-3-en-2-one?
You can request a quote for (E,5E)-1,1,1-trifluoro-5-(1,3,3-trimethyl-6-nitroindol-2-ylidene)pent-3-en-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E,5E)-1,1,1-trifluoro-5-(1,3,3-trimethyl-6-nitroindol-2-ylidene)pent-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for (E,5E)-1,1,1-trifluoro-5-(1,3,3-trimethyl-6-nitroindol-2-ylidene)pent-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.