CBKinase1_005258
TL;DR: CBKinase1_005258 (CAS 890602-30-9) is a chemical compound with molecular formula C21H21BrN2O3 and molecular weight 428.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]-phenylmethanone
Also Known As: CBKinase1_005258, CBKinase1_017658, BRD-A98079098-001-01-5, 1-(4-benzoylphenoxy)-3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propan-2-ol, F1757-0140
| Molecular Formula | C21H21BrN2O3 |
|---|---|
| Molecular Weight | 428.07 g/mol |
| LogP | 3.93334 |
| Topological Polar Surface Area | 64.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 428.07355 |
| Heavy Atoms | 27 |
| Complexity | 920.60474 |
Chemical Identifiers
| CAS Number | 890602-30-9 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)O)C)Br |
Product Overview
CBKinase1_005258 (CAS 890602-30-9), with molecular formula C21H21BrN2O3 and molecular weight 428.07 g/mol. IUPAC: [4-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]-phenylmethanone.
Chemical Property Profile of CBKinase1_005258
Property Insights of CBKinase1_005258
The XLogP value of 3.93334 indicates that CBKinase1_005258 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.35 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_005258. Following Lipinski's Rule of Five, CBKinase1_005258 has 1 hydrogen bond donor(s) and 4 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_005258?
The CAS number of CBKinase1_005258 is 890602-30-9.
What is the molecular formula of CBKinase1_005258?
The molecular formula of CBKinase1_005258 is C21H21BrN2O3.
What is the molecular weight of CBKinase1_005258?
The molecular weight of CBKinase1_005258 is 428.07 g/mol.
Where can I buy CBKinase1_005258?
You can request a quote for CBKinase1_005258 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005258?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005258 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.