CBKinase1_005566
TL;DR: CBKinase1_005566 (CAS 674296-60-7) is a chemical compound with molecular formula C16H13ClFN3O4S and molecular weight 397.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloro-4-fluorophenyl)-3-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dione
Also Known As: CBKinase1_005566, CBKinase1_017966, 1-(3-chloro-4-fluorophenyl)-3-[(5-ethyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dione, BRD-A06629133-001-01-5, 1-(3-chloro-4-fluorophenyl)-3-[(5-ethyl-4-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dione
| Molecular Formula | C16H13ClFN3O4S |
|---|---|
| Molecular Weight | 397.03 g/mol |
| LogP | 2.2546 |
| Topological Polar Surface Area | 103.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.02994 |
| Heavy Atoms | 26 |
| Complexity | 964.9964 |
Chemical Identifiers
| CAS Number | 674296-60-7 |
|---|---|
| SMILES | CCC1=C(N=C(NC1=O)SC2CC(=O)N(C2=O)C3=CC(=C(C=C3)F)Cl)O |
Product Overview
CBKinase1_005566 (CAS 674296-60-7), with molecular formula C16H13ClFN3O4S and molecular weight 397.03 g/mol. IUPAC: 1-(3-chloro-4-fluorophenyl)-3-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dione.
Chemical Property Profile of CBKinase1_005566
Property Insights of CBKinase1_005566
The XLogP value of 2.2546 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_005566. The TPSA of 103.36 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_005566. Following Lipinski's Rule of Five, CBKinase1_005566 has 2 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_005566?
The CAS number of CBKinase1_005566 is 674296-60-7.
What is the molecular formula of CBKinase1_005566?
The molecular formula of CBKinase1_005566 is C16H13ClFN3O4S.
What is the molecular weight of CBKinase1_005566?
The molecular weight of CBKinase1_005566 is 397.03 g/mol.
Where can I buy CBKinase1_005566?
You can request a quote for CBKinase1_005566 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005566?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005566 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.