CBKinase1_005443
TL;DR: CBKinase1_005443 (CAS 890602-53-6) is a chemical compound with molecular formula C20H21BrN2O3 and molecular weight 416.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-[3-(6-bromonaphthalen-2-yl)oxy-2-hydroxypropyl]-3,5-dimethylpyrazol-4-yl]ethanone
Also Known As: CBKinase1_005443, CBKinase1_017843, BAS 09621107, BRD-A13645540-001-01-9, F1757-0157
| Molecular Formula | C20H21BrN2O3 |
|---|---|
| Molecular Weight | 416.07 g/mol |
| LogP | 4.05814 |
| Topological Polar Surface Area | 64.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.07355 |
| Heavy Atoms | 26 |
| Complexity | 965.08984 |
Chemical Identifiers
| CAS Number | 890602-53-6 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(COC2=CC3=C(C=C2)C=C(C=C3)Br)O)C)C(=O)C |
Product Overview
CBKinase1_005443 (CAS 890602-53-6), with molecular formula C20H21BrN2O3 and molecular weight 416.07 g/mol. IUPAC: 1-[1-[3-(6-bromonaphthalen-2-yl)oxy-2-hydroxypropyl]-3,5-dimethylpyrazol-4-yl]ethanone.
Chemical Property Profile of CBKinase1_005443
Property Insights of CBKinase1_005443
The XLogP value of 4.05814 indicates that CBKinase1_005443 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_005443. Following Lipinski's Rule of Five, CBKinase1_005443 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_005443?
The CAS number of CBKinase1_005443 is 890602-53-6.
What is the molecular formula of CBKinase1_005443?
The molecular formula of CBKinase1_005443 is C20H21BrN2O3.
What is the molecular weight of CBKinase1_005443?
The molecular weight of CBKinase1_005443 is 416.07 g/mol.
Where can I buy CBKinase1_005443?
You can request a quote for CBKinase1_005443 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005443?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005443 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.