CBKinase1_004470
TL;DR: CBKinase1_004470 (CAS 890643-87-5) is a chemical compound with molecular formula C23H23ClN2O4 and molecular weight 426.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-[3-[4-(4-chlorobenzoyl)phenoxy]-2-hydroxypropyl]-3,5-dimethylpyrazol-4-yl]ethanone
Also Known As: CBKinase1_004470, CBKinase1_016870, AB00334260-02, BRD-A84194881-001-01-9, F1757-0022
| Molecular Formula | C23H23ClN2O4 |
|---|---|
| Molecular Weight | 426.13 g/mol |
| LogP | 4.02684 |
| Topological Polar Surface Area | 81.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 426.13464 |
| Heavy Atoms | 30 |
| Complexity | 1056.0573 |
Chemical Identifiers
| CAS Number | 890643-87-5 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(COC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)Cl)O)C)C(=O)C |
Product Overview
CBKinase1_004470 (CAS 890643-87-5), with molecular formula C23H23ClN2O4 and molecular weight 426.13 g/mol. IUPAC: 1-[1-[3-[4-(4-chlorobenzoyl)phenoxy]-2-hydroxypropyl]-3,5-dimethylpyrazol-4-yl]ethanone.
Chemical Property Profile of CBKinase1_004470
Property Insights of CBKinase1_004470
The XLogP value of 4.02684 indicates that CBKinase1_004470 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.42 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004470. Following Lipinski's Rule of Five, CBKinase1_004470 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_004470?
The CAS number of CBKinase1_004470 is 890643-87-5.
What is the molecular formula of CBKinase1_004470?
The molecular formula of CBKinase1_004470 is C23H23ClN2O4.
What is the molecular weight of CBKinase1_004470?
The molecular weight of CBKinase1_004470 is 426.13 g/mol.
Where can I buy CBKinase1_004470?
You can request a quote for CBKinase1_004470 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004470?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004470 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.