CBKinase1_010826
TL;DR: CBKinase1_010826 (CAS 627059-46-5) is a chemical compound with molecular formula C20H17F3N2O5 and molecular weight 422.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-oxo-1-[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]pyrrolidine-3-carboxylic acid
Also Known As: CBKinase1_010826, CBKinase1_023226, ASISCHEM D19373, BRD-A53738105-001-01-0, 5-oxo-1-[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]pyrrolidine-3-carboxylic acid
| Molecular Formula | C20H17F3N2O5 |
|---|---|
| Molecular Weight | 422.11 g/mol |
| LogP | 3.1604 |
| Topological Polar Surface Area | 95.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.10895 |
| Heavy Atoms | 30 |
| Complexity | 959.6594 |
Chemical Identifiers
| CAS Number | 627059-46-5 |
|---|---|
| SMILES | C1C(CN(C1=O)C2=CC=C(C=C2)OCC(=O)NC3=CC=CC(=C3)C(F)(F)F)C(=O)O |
Product Overview
CBKinase1_010826 (CAS 627059-46-5), with molecular formula C20H17F3N2O5 and molecular weight 422.11 g/mol. IUPAC: 5-oxo-1-[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]pyrrolidine-3-carboxylic acid.
Chemical Property Profile of CBKinase1_010826
Property Insights of CBKinase1_010826
The XLogP value of 3.1604 indicates that CBKinase1_010826 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.94 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_010826. Following Lipinski's Rule of Five, CBKinase1_010826 has 2 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 CBKinase1_010826?
The CAS number of CBKinase1_010826 is 627059-46-5.
What is the molecular formula of CBKinase1_010826?
The molecular formula of CBKinase1_010826 is C20H17F3N2O5.
What is the molecular weight of CBKinase1_010826?
The molecular weight of CBKinase1_010826 is 422.11 g/mol.
Where can I buy CBKinase1_010826?
You can request a quote for CBKinase1_010826 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_010826?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_010826 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.