CBKinase1_002826
TL;DR: CBKinase1_002826 (CAS 442669-17-2) is a chemical compound with molecular formula C21H20ClFN2O4 and molecular weight 418.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
Also Known As: CBKinase1_002826, CBKinase1_015226, BAS 05591938, 3-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide, N-(2-(3,4-DIMETHOXYPHENYL)ETHYL)(3-(2-CHLORO-6-FLUOROPHENYL)-5-METHYLISOXAZOL-4-YL)FORMAMIDE
| Molecular Formula | C21H20ClFN2O4 |
|---|---|
| Molecular Weight | 418.11 g/mol |
| LogP | 4.43222 |
| Topological Polar Surface Area | 73.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 418.10956 |
| Heavy Atoms | 29 |
| Complexity | 1015.26575 |
Chemical Identifiers
| CAS Number | 442669-17-2 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NCCC3=CC(=C(C=C3)OC)OC |
Product Overview
CBKinase1_002826 (CAS 442669-17-2), with molecular formula C21H20ClFN2O4 and molecular weight 418.11 g/mol. IUPAC: 3-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide.
Chemical Property Profile of CBKinase1_002826
Property Insights of CBKinase1_002826
The XLogP value of 4.43222 indicates that CBKinase1_002826 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.59 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_002826. Following Lipinski's Rule of Five, CBKinase1_002826 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_002826?
The CAS number of CBKinase1_002826 is 442669-17-2.
What is the molecular formula of CBKinase1_002826?
The molecular formula of CBKinase1_002826 is C21H20ClFN2O4.
What is the molecular weight of CBKinase1_002826?
The molecular weight of CBKinase1_002826 is 418.11 g/mol.
Where can I buy CBKinase1_002826?
You can request a quote for CBKinase1_002826 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002826?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002826 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.