CBKinase1_003857
TL;DR: CBKinase1_003857 (CAS 593237-41-3) is a chemical compound with molecular formula C12H11F3N4O4 and molecular weight 332.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-nitro-4-(trifluoromethyl)aniline
Also Known As: CBKinase1_003857, CBKinase1_016257, BRD-K75916948-001-01-5, N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-nitro-4-(trifluoromethyl)aniline, N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-2-nitro-4-(trifluoromethyl)aniline
| Molecular Formula | C12H11F3N4O4 |
|---|---|
| Molecular Weight | 332.07 g/mol |
| LogP | 2.79592 |
| Topological Polar Surface Area | 103.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 332.07324 |
| Heavy Atoms | 23 |
| Complexity | 701.8545 |
Chemical Identifiers
| CAS Number | 593237-41-3 |
|---|---|
| SMILES | CC1=NON=C1OCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] |
Product Overview
CBKinase1_003857 (CAS 593237-41-3), with molecular formula C12H11F3N4O4 and molecular weight 332.07 g/mol. IUPAC: N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-nitro-4-(trifluoromethyl)aniline.
Chemical Property Profile of CBKinase1_003857
Property Insights of CBKinase1_003857
The XLogP value of 2.79592 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_003857. The TPSA of 103.32 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_003857. Following Lipinski's Rule of Five, CBKinase1_003857 has 1 hydrogen bond donor(s) and 7 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_003857?
The CAS number of CBKinase1_003857 is 593237-41-3.
What is the molecular formula of CBKinase1_003857?
The molecular formula of CBKinase1_003857 is C12H11F3N4O4.
What is the molecular weight of CBKinase1_003857?
The molecular weight of CBKinase1_003857 is 332.07 g/mol.
Where can I buy CBKinase1_003857?
You can request a quote for CBKinase1_003857 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003857?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003857 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.