CBKinase1_006267
TL;DR: CBKinase1_006267 (CAS 701972-64-7) is a chemical compound with molecular formula C21H18ClFO5 and molecular weight 404.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[7-[(2-chloro-6-fluorophenyl)methoxy]-4,8-dimethyl-2-oxochromen-3-yl]propanoic acid
Also Known As: CBKinase1_006267, CBKinase1_018667, EiM07-28286, 3-{7-[(2-chloro-6-fluorobenzyl)oxy]-4,8-dimethyl-2-oxo-2H-chromen-3-yl}propanoic acid, BRD-K39416580-001-01-4
| Molecular Formula | C21H18ClFO5 |
|---|---|
| Molecular Weight | 404.08 g/mol |
| LogP | 4.79854 |
| Topological Polar Surface Area | 76.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.08267 |
| Heavy Atoms | 28 |
| Complexity | 1099.7095 |
Chemical Identifiers
| CAS Number | 701972-64-7 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=C(C=CC=C3Cl)F)CCC(=O)O |
Product Overview
CBKinase1_006267 (CAS 701972-64-7), with molecular formula C21H18ClFO5 and molecular weight 404.08 g/mol. IUPAC: 3-[7-[(2-chloro-6-fluorophenyl)methoxy]-4,8-dimethyl-2-oxochromen-3-yl]propanoic acid.
Chemical Property Profile of CBKinase1_006267
Property Insights of CBKinase1_006267
The XLogP value of 4.79854 indicates that CBKinase1_006267 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.74 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_006267. Following Lipinski's Rule of Five, CBKinase1_006267 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_006267?
The CAS number of CBKinase1_006267 is 701972-64-7.
What is the molecular formula of CBKinase1_006267?
The molecular formula of CBKinase1_006267 is C21H18ClFO5.
What is the molecular weight of CBKinase1_006267?
The molecular weight of CBKinase1_006267 is 404.08 g/mol.
Where can I buy CBKinase1_006267?
You can request a quote for CBKinase1_006267 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_006267?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_006267 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.