ChemDiv1_028626
TL;DR: ChemDiv1_028626 (CAS 473445-53-3) is a chemical compound with molecular formula C27H15F4NO5 and molecular weight 509.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-5-[2-(trifluoromethyl)phenyl]spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone
Also Known As: ChemDiv1_028626, AJ-292/14596004, 3-(4-fluorophenyl)-5-[2-(trifluoromethyl)phenyl]-3a,6a-dihydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6(3H,5H)-tetrone, 1-(4-fluorophenyl)-5-[2-(trifluoromethyl)phenyl]spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone, 1-(4-chlorophenyl)-5-(2-trifluoromethyl)dihydro-1',3',4,6-tetraoxospiro[1H-furo[3,4-c]pyrrole-3,2'-(1'H)-indene]
| Molecular Formula | C27H15F4NO5 |
|---|---|
| Molecular Weight | 509.09 g/mol |
| LogP | 4.5396 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 509.08862 |
| Heavy Atoms | 37 |
| Complexity | 1478.6761 |
Chemical Identifiers
| CAS Number | 473445-53-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3(C2=O)C4C(C(O3)C5=CC=C(C=C5)F)C(=O)N(C4=O)C6=CC=CC=C6C(F)(F)F |
Product Overview
ChemDiv1_028626 (CAS 473445-53-3), with molecular formula C27H15F4NO5 and molecular weight 509.09 g/mol. IUPAC: 1-(4-fluorophenyl)-5-[2-(trifluoromethyl)phenyl]spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone.
Chemical Property Profile of ChemDiv1_028626
Property Insights of ChemDiv1_028626
The XLogP value of 4.5396 indicates that ChemDiv1_028626 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.75 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_028626. Following Lipinski's Rule of Five, ChemDiv1_028626 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_028626?
The CAS number of ChemDiv1_028626 is 473445-53-3.
What is the molecular formula of ChemDiv1_028626?
The molecular formula of ChemDiv1_028626 is C27H15F4NO5.
What is the molecular weight of ChemDiv1_028626?
The molecular weight of ChemDiv1_028626 is 509.09 g/mol.
Where can I buy ChemDiv1_028626?
You can request a quote for ChemDiv1_028626 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028626?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028626 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.