C21H18ClF3N4O2
TL;DR: C21H18ClF3N4O2 (CAS 497061-32-2) is a chemical compound with molecular formula C21H18ClF3N4O2 and molecular weight 450.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione
Also Known As: AO-990/37423024, 1-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione, 2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))-1-indol-3-ylethane-1,2-dione, 1-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl}-2-(1H-indol-3-yl)ethane-1,2-dione, 1-(4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-1,4-diazepan-1-yl)-2-(1H-indol-3-yl)ethane-1,2-dione
| Molecular Formula | C21H18ClF3N4O2 |
|---|---|
| Molecular Weight | 450.11 g/mol |
| LogP | 4.1567 |
| Topological Polar Surface Area | 69.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 450.10703 |
| Heavy Atoms | 31 |
| Complexity | 1145.1005 |
Chemical Identifiers
| CAS Number | 497061-32-2 |
|---|---|
| SMILES | C1CN(CCN(C1)C(=O)C(=O)C2=CNC3=CC=CC=C32)C4=C(C=C(C=N4)C(F)(F)F)Cl |
Product Overview
C21H18ClF3N4O2 (CAS 497061-32-2), with molecular formula C21H18ClF3N4O2 and molecular weight 450.11 g/mol. IUPAC: 1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione.
Chemical Property Profile of C21H18ClF3N4O2
Property Insights of C21H18ClF3N4O2
The XLogP value of 4.1567 indicates that C21H18ClF3N4O2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for C21H18ClF3N4O2. Following Lipinski's Rule of Five, C21H18ClF3N4O2 has 1 hydrogen bond donor(s) and 4 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 C21H18ClF3N4O2?
The CAS number of C21H18ClF3N4O2 is 497061-32-2.
What is the molecular formula of C21H18ClF3N4O2?
The molecular formula of C21H18ClF3N4O2 is C21H18ClF3N4O2.
What is the molecular weight of C21H18ClF3N4O2?
The molecular weight of C21H18ClF3N4O2 is 450.11 g/mol.
Where can I buy C21H18ClF3N4O2?
You can request a quote for C21H18ClF3N4O2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H18ClF3N4O2?
Yes, KEHONG BIO provides custom synthesis services for C21H18ClF3N4O2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.