CI 951
TL;DR: CI 951 (CAS 126661-07-2) is a chemical compound with molecular formula C22H23F3N2O3 and molecular weight 420.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methyl-5-propan-2-yloxy-4-[2-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridine-3-carboxylate
Also Known As: Goe 5438, CI 951, Color Index No. 951, Color Index Number 951, Colour Index No. 951
| Molecular Formula | C22H23F3N2O3 |
|---|---|
| Molecular Weight | 420.17 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 60.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 420.16608 |
| Heavy Atoms | 30 |
| Complexity | 650.0 |
Chemical Identifiers
| CAS Number | 126661-07-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3C(F)(F)F)C(=NC=C2)OC(C)C)C |
| InChIKey | XVXQOAYCEUDQTQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
CI 951 (CAS 126661-07-2), with molecular formula C22H23F3N2O3 and molecular weight 420.17 g/mol. IUPAC: ethyl 2-methyl-5-propan-2-yloxy-4-[2-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridine-3-carboxylate.
Chemical Property Profile of CI 951
Property Insights of CI 951
The XLogP value of 5.0 indicates that CI 951 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.5 Ų falls within the moderate polarity range, balancing permeability and solubility for CI 951. Following Lipinski's Rule of Five, CI 951 has 1 hydrogen bond donor(s) and 8 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 CI 951?
The CAS number of CI 951 is 126661-07-2.
What is the molecular formula of CI 951?
The molecular formula of CI 951 is C22H23F3N2O3.
What is the molecular weight of CI 951?
The molecular weight of CI 951 is 420.17 g/mol.
Where can I buy CI 951?
You can request a quote for CI 951 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CI 951?
Yes, KEHONG BIO provides custom synthesis services for CI 951 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.