CBKinase1_003095
TL;DR: CBKinase1_003095 (CAS 642430-16-8) is a chemical compound with molecular formula C23H22BrN5O3 and molecular weight 495.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-bromophenyl)-[4-[4-nitro-3-(pyridin-3-ylmethylamino)phenyl]piperazin-1-yl]methanone
Also Known As: CBKinase1_003095, CBKinase1_015495, BRD-K31092101-001-01-1, (2-bromophenyl)-[4-[4-nitro-3-(pyridin-3-ylmethylamino)phenyl]piperazin-1-yl]methanone, (2-bromophenyl)(4-{4-nitro-3-[(pyridin-3-ylmethyl)amino]phenyl}piperazin-1-yl)methanone
| Molecular Formula | C23H22BrN5O3 |
|---|---|
| Molecular Weight | 495.09 g/mol |
| LogP | 4.3268 |
| Topological Polar Surface Area | 91.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 495.0906 |
| Heavy Atoms | 32 |
| Complexity | 1117.6245 |
Chemical Identifiers
| CAS Number | 642430-16-8 |
|---|---|
| SMILES | C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CN=CC=C3)C(=O)C4=CC=CC=C4Br |
Product Overview
CBKinase1_003095 (CAS 642430-16-8), with molecular formula C23H22BrN5O3 and molecular weight 495.09 g/mol. IUPAC: (2-bromophenyl)-[4-[4-nitro-3-(pyridin-3-ylmethylamino)phenyl]piperazin-1-yl]methanone.
Chemical Property Profile of CBKinase1_003095
Property Insights of CBKinase1_003095
The XLogP value of 4.3268 indicates that CBKinase1_003095 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.61 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_003095. Following Lipinski's Rule of Five, CBKinase1_003095 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_003095?
The CAS number of CBKinase1_003095 is 642430-16-8.
What is the molecular formula of CBKinase1_003095?
The molecular formula of CBKinase1_003095 is C23H22BrN5O3.
What is the molecular weight of CBKinase1_003095?
The molecular weight of CBKinase1_003095 is 495.09 g/mol.
Where can I buy CBKinase1_003095?
You can request a quote for CBKinase1_003095 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003095?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003095 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.