AB00112574-01
TL;DR: AB00112574-01 (CAS 96725-27-8) is a chemical compound with molecular formula C18H15F3N2O and molecular weight 332.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-6-(trifluoromethyl)-4,7-dihydro-2H-indolo[2,3-c]quinolin-1-one
Also Known As: AB00112574-01, AE-848/11828062, 3,3-dimethyl-6-(trifluoromethyl)-2,3,4,7-tetrahydro-1H-indolo[2,3-c]quinolin-1-one, 3,3-dimethyl-6-(trifluoromethyl)-4,7-dihydro-2H-indolo[2,3-c]quinolin-1-one, 3,3-dimethyl-6-trifluoromethyl-1,2,3,4-tetrahydroindolo[2,3-c]quinolin-1-one
| Molecular Formula | C18H15F3N2O |
|---|---|
| Molecular Weight | 332.11 g/mol |
| LogP | 4.89 |
| Topological Polar Surface Area | 45.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 332.11365 |
| Heavy Atoms | 24 |
| Complexity | 998.8205 |
Chemical Identifiers
| CAS Number | 96725-27-8 |
|---|---|
| SMILES | CC1(CC2=C(C(=O)C1)C3=C(C(=N2)C(F)(F)F)NC4=CC=CC=C43)C |
Product Overview
AB00112574-01 (CAS 96725-27-8), with molecular formula C18H15F3N2O and molecular weight 332.11 g/mol. IUPAC: 3,3-dimethyl-6-(trifluoromethyl)-4,7-dihydro-2H-indolo[2,3-c]quinolin-1-one.
Chemical Property Profile of AB00112574-01
Property Insights of AB00112574-01
The XLogP value of 4.89 indicates that AB00112574-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.75 Ų, AB00112574-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00112574-01 has 1 hydrogen bond donor(s) and 2 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 AB00112574-01?
The CAS number of AB00112574-01 is 96725-27-8.
What is the molecular formula of AB00112574-01?
The molecular formula of AB00112574-01 is C18H15F3N2O.
What is the molecular weight of AB00112574-01?
The molecular weight of AB00112574-01 is 332.11 g/mol.
Where can I buy AB00112574-01?
You can request a quote for AB00112574-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00112574-01?
Yes, KEHONG BIO provides custom synthesis services for AB00112574-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.