CBKinase1_000850
TL;DR: CBKinase1_000850 (CAS 428846-23-5) is a chemical compound with molecular formula C21H23F3N4O4 and molecular weight 452.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methoxy-5-nitrophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
Also Known As: CBKinase1_000850, CBKinase1_013250, BRD-K09254497-001-01-7, N-(2-methoxy-5-nitrophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide, N-(2-methoxy-5-nitro-phenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
| Molecular Formula | C21H23F3N4O4 |
|---|---|
| Molecular Weight | 452.17 g/mol |
| LogP | 3.773 |
| Topological Polar Surface Area | 87.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 452.16714 |
| Heavy Atoms | 32 |
| Complexity | 975.7574 |
Chemical Identifiers
| CAS Number | 428846-23-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F |
Product Overview
CBKinase1_000850 (CAS 428846-23-5), with molecular formula C21H23F3N4O4 and molecular weight 452.17 g/mol. IUPAC: N-(2-methoxy-5-nitrophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide.
Chemical Property Profile of CBKinase1_000850
Property Insights of CBKinase1_000850
The XLogP value of 3.773 indicates that CBKinase1_000850 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.95 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_000850. Following Lipinski's Rule of Five, CBKinase1_000850 has 1 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_000850?
The CAS number of CBKinase1_000850 is 428846-23-5.
What is the molecular formula of CBKinase1_000850?
The molecular formula of CBKinase1_000850 is C21H23F3N4O4.
What is the molecular weight of CBKinase1_000850?
The molecular weight of CBKinase1_000850 is 452.17 g/mol.
Where can I buy CBKinase1_000850?
You can request a quote for CBKinase1_000850 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_000850?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_000850 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.