CBKinase1_011388
TL;DR: CBKinase1_011388 (CAS 725698-94-2) is a chemical compound with molecular formula C15H12F4N2O4S and molecular weight 392.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylacetate
Also Known As: CBKinase1_011388, CBKinase1_023788, ethyl 2-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylacetate, 2-[[4-(4-fluorophenyl)-6-(trifluoromethyl)-2-pyrimidinyl]sulfonyl]acetic acid ethyl ester, BRD-K27169919-001-01-5
| Molecular Formula | C15H12F4N2O4S |
|---|---|
| Molecular Weight | 392.05 g/mol |
| LogP | 2.6383 |
| Topological Polar Surface Area | 86.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.04538 |
| Heavy Atoms | 26 |
| Complexity | 912.2339 |
Chemical Identifiers
| CAS Number | 725698-94-2 |
|---|---|
| SMILES | CCOC(=O)CS(=O)(=O)C1=NC(=CC(=N1)C(F)(F)F)C2=CC=C(C=C2)F |
Product Overview
CBKinase1_011388 (CAS 725698-94-2), with molecular formula C15H12F4N2O4S and molecular weight 392.05 g/mol. IUPAC: ethyl 2-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylacetate.
Chemical Property Profile of CBKinase1_011388
Property Insights of CBKinase1_011388
The XLogP value of 2.6383 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_011388. The TPSA of 86.22 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_011388. Following Lipinski's Rule of Five, CBKinase1_011388 has 0 hydrogen bond donor(s) and 6 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_011388?
The CAS number of CBKinase1_011388 is 725698-94-2.
What is the molecular formula of CBKinase1_011388?
The molecular formula of CBKinase1_011388 is C15H12F4N2O4S.
What is the molecular weight of CBKinase1_011388?
The molecular weight of CBKinase1_011388 is 392.05 g/mol.
Where can I buy CBKinase1_011388?
You can request a quote for CBKinase1_011388 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_011388?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_011388 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.