CBKinase1_004313
TL;DR: CBKinase1_004313 (CAS 670245-30-4) is a chemical compound with molecular formula C17H17ClO6 and molecular weight 352.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[6-chloro-4-methyl-2-oxo-7-(3-oxobutan-2-yloxy)chromen-3-yl]acetate
Also Known As: CBKinase1_004313, CBKinase1_016713, BRD-A93811649-001-01-0, methyl 2-(6-chloro-4-methyl-2-oxo-7-((3-oxobutan-2-yl)oxy)-2H-chromen-3-yl)acetate, methyl {6-chloro-4-methyl-2-oxo-7-[(3-oxobutan-2-yl)oxy]-2H-chromen-3-yl}acetate
| Molecular Formula | C17H17ClO6 |
|---|---|
| Molecular Weight | 352.07 g/mol |
| LogP | 2.82662 |
| Topological Polar Surface Area | 82.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 352.07138 |
| Heavy Atoms | 24 |
| Complexity | 867.4903 |
Chemical Identifiers
| CAS Number | 670245-30-4 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC(C)C(=O)C)CC(=O)OC |
Product Overview
CBKinase1_004313 (CAS 670245-30-4), with molecular formula C17H17ClO6 and molecular weight 352.07 g/mol. IUPAC: methyl 2-[6-chloro-4-methyl-2-oxo-7-(3-oxobutan-2-yloxy)chromen-3-yl]acetate.
Chemical Property Profile of CBKinase1_004313
Property Insights of CBKinase1_004313
The XLogP value of 2.82662 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_004313. The TPSA of 82.81 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004313. Following Lipinski's Rule of Five, CBKinase1_004313 has 0 hydrogen bond donor(s) and 6 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_004313?
The CAS number of CBKinase1_004313 is 670245-30-4.
What is the molecular formula of CBKinase1_004313?
The molecular formula of CBKinase1_004313 is C17H17ClO6.
What is the molecular weight of CBKinase1_004313?
The molecular weight of CBKinase1_004313 is 352.07 g/mol.
Where can I buy CBKinase1_004313?
You can request a quote for CBKinase1_004313 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004313?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004313 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.