CBKinase1_004218
TL;DR: CBKinase1_004218 (CAS 890643-81-9) is a chemical compound with molecular formula C17H21BrN2O4 and molecular weight 396.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]ethanone
Also Known As: CBKinase1_004218, CBKinase1_016618, 1-{4-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl}ethanone, AP-124/41972165, BRD-A83345404-001-01-6
| Molecular Formula | C17H21BrN2O4 |
|---|---|
| Molecular Weight | 396.07 g/mol |
| LogP | 2.91354 |
| Topological Polar Surface Area | 73.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 396.06848 |
| Heavy Atoms | 24 |
| Complexity | 742.43207 |
Chemical Identifiers
| CAS Number | 890643-81-9 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(COC2=C(C=C(C=C2)C(=O)C)OC)O)C)Br |
Product Overview
CBKinase1_004218 (CAS 890643-81-9), with molecular formula C17H21BrN2O4 and molecular weight 396.07 g/mol. IUPAC: 1-[4-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]ethanone.
Chemical Property Profile of CBKinase1_004218
Property Insights of CBKinase1_004218
The XLogP value of 2.91354 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_004218. The TPSA of 73.58 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004218. Following Lipinski's Rule of Five, CBKinase1_004218 has 1 hydrogen bond donor(s) and 5 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_004218?
The CAS number of CBKinase1_004218 is 890643-81-9.
What is the molecular formula of CBKinase1_004218?
The molecular formula of CBKinase1_004218 is C17H21BrN2O4.
What is the molecular weight of CBKinase1_004218?
The molecular weight of CBKinase1_004218 is 396.07 g/mol.
Where can I buy CBKinase1_004218?
You can request a quote for CBKinase1_004218 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004218?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004218 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.