CBKinase1_004607
TL;DR: CBKinase1_004607 (CAS 597545-84-1) is a chemical compound with molecular formula C21H27N5O3 and molecular weight 397.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-1-[4-[4-nitro-3-(pyridin-3-ylmethylamino)phenyl]piperazin-1-yl]propan-1-one
Also Known As: CBKinase1_004607, CBKinase1_017007, BRD-K18029830-001-01-8, 2,2-dimethyl-1-(4-{4-nitro-3-[(pyridin-3-ylmethyl)amino]phenyl}piperazin-1-yl)propan-1-one, 2,2-dimethyl-1-[4-[4-nitro-3-(pyridin-3-ylmethylamino)phenyl]piperazin-1-yl]propan-1-one
| Molecular Formula | C21H27N5O3 |
|---|---|
| Molecular Weight | 397.21 g/mol |
| LogP | 3.2966 |
| Topological Polar Surface Area | 91.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.2114 |
| Heavy Atoms | 29 |
| Complexity | 871.63043 |
Chemical Identifiers
| CAS Number | 597545-84-1 |
|---|---|
| SMILES | CC(C)(C)C(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CN=CC=C3 |
Product Overview
CBKinase1_004607 (CAS 597545-84-1), with molecular formula C21H27N5O3 and molecular weight 397.21 g/mol. IUPAC: 2,2-dimethyl-1-[4-[4-nitro-3-(pyridin-3-ylmethylamino)phenyl]piperazin-1-yl]propan-1-one.
Chemical Property Profile of CBKinase1_004607
Property Insights of CBKinase1_004607
The XLogP value of 3.2966 indicates that CBKinase1_004607 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_004607. Following Lipinski's Rule of Five, CBKinase1_004607 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_004607?
The CAS number of CBKinase1_004607 is 597545-84-1.
What is the molecular formula of CBKinase1_004607?
The molecular formula of CBKinase1_004607 is C21H27N5O3.
What is the molecular weight of CBKinase1_004607?
The molecular weight of CBKinase1_004607 is 397.21 g/mol.
Where can I buy CBKinase1_004607?
You can request a quote for CBKinase1_004607 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004607?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004607 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.