CBKinase1_006742
TL;DR: CBKinase1_006742 (CAS 896214-01-0) is a chemical compound with molecular formula C20H20BrN5O3S and molecular weight 489.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(2-methoxy-4-nitrophenyl)thiourea
Also Known As: CBKinase1_006742, CBKinase1_019142, 1-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(2-methoxy-4-nitrophenyl)thiourea, ({3-[(4-bromo-3,5-dimethylpyrazolyl)methyl]phenyl}amino)[(2-methoxy-4-nitrophe nyl)amino]methane-1-thione, 1-[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-3-(2-methoxy-4-nitro-phenyl)thiourea
| Molecular Formula | C20H20BrN5O3S |
|---|---|
| Molecular Weight | 489.05 g/mol |
| LogP | 5.03644 |
| Topological Polar Surface Area | 94.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 489.04703 |
| Heavy Atoms | 30 |
| Complexity | 1115.8165 |
Chemical Identifiers
| CAS Number | 896214-01-0 |
|---|---|
| SMILES | CC1=C(C(=NN1CC2=CC(=CC=C2)NC(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])OC)C)Br |
Product Overview
CBKinase1_006742 (CAS 896214-01-0), with molecular formula C20H20BrN5O3S and molecular weight 489.05 g/mol. IUPAC: 1-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(2-methoxy-4-nitrophenyl)thiourea.
Chemical Property Profile of CBKinase1_006742
Property Insights of CBKinase1_006742
The XLogP value of 5.03644 indicates that CBKinase1_006742 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.25 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_006742. Following Lipinski's Rule of Five, CBKinase1_006742 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_006742?
The CAS number of CBKinase1_006742 is 896214-01-0.
What is the molecular formula of CBKinase1_006742?
The molecular formula of CBKinase1_006742 is C20H20BrN5O3S.
What is the molecular weight of CBKinase1_006742?
The molecular weight of CBKinase1_006742 is 489.05 g/mol.
Where can I buy CBKinase1_006742?
You can request a quote for CBKinase1_006742 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_006742?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_006742 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.