A3101/0131313
TL;DR: A3101/0131313 (CAS 578718-57-7) is a chemical compound with molecular formula C28H26F3N3O3 and molecular weight 509.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-(4-methylphenyl)-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione
Also Known As: A3101/0131313, 6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-(4-methylphenyl)-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione, 6,6-DIMETHYL-3-(5-METHYL-3-OXO-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOL-4-YL)-1-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-2,3,4,5,6,7-HEXAHYDRO-1H-INDOLE-2,4-DIONE, 6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-(4-methylphenyl)-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione, 6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-(p-tolyl)-3-(trifluoromethyl)-6,7-dihydro-1H-indole-2,4(3H,5H)-dione
| Molecular Formula | C28H26F3N3O3 |
|---|---|
| Molecular Weight | 509.19 g/mol |
| LogP | 5.27254 |
| Topological Polar Surface Area | 75.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 509.19263 |
| Heavy Atoms | 37 |
| Complexity | 1511.9293 |
Chemical Identifiers
| CAS Number | 578718-57-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C3=C(C(=O)CC(C3)(C)C)C(C2=O)(C4=C(NN(C4=O)C5=CC=CC=C5)C)C(F)(F)F |
Product Overview
A3101/0131313 (CAS 578718-57-7), with molecular formula C28H26F3N3O3 and molecular weight 509.19 g/mol. IUPAC: 6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-(4-methylphenyl)-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione.
Chemical Property Profile of A3101/0131313
Property Insights of A3101/0131313
The XLogP value of 5.27254 indicates that A3101/0131313 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.17 Ų falls within the moderate polarity range, balancing permeability and solubility for A3101/0131313. Following Lipinski's Rule of Five, A3101/0131313 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3101/0131313?
The CAS number of A3101/0131313 is 578718-57-7.
What is the molecular formula of A3101/0131313?
The molecular formula of A3101/0131313 is C28H26F3N3O3.
What is the molecular weight of A3101/0131313?
The molecular weight of A3101/0131313 is 509.19 g/mol.
Where can I buy A3101/0131313?
You can request a quote for A3101/0131313 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3101/0131313?
Yes, KEHONG BIO provides custom synthesis services for A3101/0131313 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.