C28H17ClF3NO5
TL;DR: C28H17ClF3NO5 (CAS 459154-01-9) is a chemical compound with molecular formula C28H17ClF3NO5 and molecular weight 539.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-5-[2-methyl-5-(trifluoromethyl)phenyl]spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone
Also Known As: 3-(4-chlorophenyl)-5-[2-methyl-5-(trifluoromethyl)phenyl]-3a,6a-dihydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6(3H,5H)-tetrone, 1-(4-chlorophenyl)-5-[2-methyl-5-(trifluoromethyl)phenyl]spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone, 3-(4-chlorophenyl)-5-(2-methyl-5-(trifluoromethyl)phenyl)-3,3a-dihydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6(5H,6aH)-tetraone, 3-(4-CHLOROPHENYL)-5-[2-METHYL-5-(TRIFLUOROMETHYL)PHENYL]-1',3,3',3A,4,5,6,6A-OCTAHYDROSPIRO[FURO[3,4-C]PYRROLE-1,2'-INDENE]-1',3',4,6-TETRONE, 3-(4-CHLOROPHENYL)-5-[2-METHYL-5-(TRIFLUOROMETHYL)PHENYL]-3A,6A-DIHYDRO-3H-SPIRO[FURO[3,4-C]PYRROLE-1,2'-INDENE]-1',3',4,6-TETRONE
| Molecular Formula | C28H17ClF3NO5 |
|---|---|
| Molecular Weight | 539.07 g/mol |
| LogP | 5.36232 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 539.0747 |
| Heavy Atoms | 38 |
| Complexity | 1530.3989 |
Chemical Identifiers
| CAS Number | 459154-01-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(F)(F)F)N2C(=O)C3C(C2=O)C4(C(=O)C5=CC=CC=C5C4=O)OC3C6=CC=C(C=C6)Cl |
Product Overview
C28H17ClF3NO5 (CAS 459154-01-9), with molecular formula C28H17ClF3NO5 and molecular weight 539.07 g/mol. IUPAC: 1-(4-chlorophenyl)-5-[2-methyl-5-(trifluoromethyl)phenyl]spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone.
Chemical Property Profile of C28H17ClF3NO5
Property Insights of C28H17ClF3NO5
The XLogP value of 5.36232 indicates that C28H17ClF3NO5 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 C28H17ClF3NO5. Following Lipinski's Rule of Five, C28H17ClF3NO5 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 C28H17ClF3NO5?
The CAS number of C28H17ClF3NO5 is 459154-01-9.
What is the molecular formula of C28H17ClF3NO5?
The molecular formula of C28H17ClF3NO5 is C28H17ClF3NO5.
What is the molecular weight of C28H17ClF3NO5?
The molecular weight of C28H17ClF3NO5 is 539.07 g/mol.
Where can I buy C28H17ClF3NO5?
You can request a quote for C28H17ClF3NO5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C28H17ClF3NO5?
Yes, KEHONG BIO provides custom synthesis services for C28H17ClF3NO5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.