EiM07-15682
TL;DR: EiM07-15682 (CAS 314744-51-9) is a chemical compound with molecular formula C20H13F3N2O7 and molecular weight 450.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
Also Known As: EiM07-15682, BAS 00872554, 3-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-one, 3-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-7,8,9,10-tetrahydrobenzo[c]chromen-6-one, 3-(2,6-dinitro-4-(trifluoromethyl)phenoxy)-7,8,9,10-tetrahydro-6H-benzo[c]chromen-6-one
| Molecular Formula | C20H13F3N2O7 |
|---|---|
| Molecular Weight | 450.07 g/mol |
| LogP | 5.2993 |
| Topological Polar Surface Area | 125.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 450.06747 |
| Heavy Atoms | 32 |
| Complexity | 1296.2386 |
Chemical Identifiers
| CAS Number | 314744-51-9 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(C=C(C=C3)OC4=C(C=C(C=C4[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])OC2=O |
Product Overview
EiM07-15682 (CAS 314744-51-9), with molecular formula C20H13F3N2O7 and molecular weight 450.07 g/mol. IUPAC: 3-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-7,8,9,10-tetrahydrobenzo[c]chromen-6-one.
Chemical Property Profile of EiM07-15682
Property Insights of EiM07-15682
The XLogP value of 5.2993 indicates that EiM07-15682 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.72 Ų falls within the moderate polarity range, balancing permeability and solubility for EiM07-15682. Following Lipinski's Rule of Five, EiM07-15682 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EiM07-15682?
The CAS number of EiM07-15682 is 314744-51-9.
What is the molecular formula of EiM07-15682?
The molecular formula of EiM07-15682 is C20H13F3N2O7.
What is the molecular weight of EiM07-15682?
The molecular weight of EiM07-15682 is 450.07 g/mol.
Where can I buy EiM07-15682?
You can request a quote for EiM07-15682 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EiM07-15682?
Yes, KEHONG BIO provides custom synthesis services for EiM07-15682 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.