CBKinase1_004472
TL;DR: CBKinase1_004472 (CAS 890643-89-7) is a chemical compound with molecular formula C21H21ClN2O3 and molecular weight 384.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl)-[4-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]methanone
Also Known As: CBKinase1_004472, CBKinase1_016872, BRD-A72812761-001-01-5, 1-[4-(4-chlorobenzoyl)phenoxy]-3-(3,5-dimethyl-1H-pyrazol-1-yl)propan-2-ol, F1757-0023
| Molecular Formula | C21H21ClN2O3 |
|---|---|
| Molecular Weight | 384.12 g/mol |
| LogP | 3.82424 |
| Topological Polar Surface Area | 64.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 384.12408 |
| Heavy Atoms | 27 |
| Complexity | 917.60474 |
Chemical Identifiers
| CAS Number | 890643-89-7 |
|---|---|
| SMILES | CC1=CC(=NN1CC(COC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)Cl)O)C |
Product Overview
CBKinase1_004472 (CAS 890643-89-7), with molecular formula C21H21ClN2O3 and molecular weight 384.12 g/mol. IUPAC: (4-chlorophenyl)-[4-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]methanone.
Chemical Property Profile of CBKinase1_004472
Property Insights of CBKinase1_004472
The XLogP value of 3.82424 indicates that CBKinase1_004472 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_004472. Following Lipinski's Rule of Five, CBKinase1_004472 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_004472?
The CAS number of CBKinase1_004472 is 890643-89-7.
What is the molecular formula of CBKinase1_004472?
The molecular formula of CBKinase1_004472 is C21H21ClN2O3.
What is the molecular weight of CBKinase1_004472?
The molecular weight of CBKinase1_004472 is 384.12 g/mol.
Where can I buy CBKinase1_004472?
You can request a quote for CBKinase1_004472 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004472?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004472 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.