CBKinase1_005731
TL;DR: CBKinase1_005731 (CAS 618878-67-4) is a chemical compound with molecular formula C20H15N3O3S and molecular weight 377.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-2-pyridin-2-yl-1-(pyridin-3-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
Also Known As: CBKinase1_005731, CBKinase1_018131, (4E)-4-[hydroxy(thiophen-2-yl)methylidene]-5-(pyridin-2-yl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione, 3-hydroxy-5-(2-pyridyl)-1-(3-pyridylmethyl)-4-(2-thienylcarbonyl)-3-pyrrolin-2 -one, 3-hydroxy-5-pyridin-2-yl-1-(pyridin-3-ylmethyl)-4-(thiophene-2-carbonyl)-5H-pyrrol-2-one
| Molecular Formula | C20H15N3O3S |
|---|---|
| Molecular Weight | 377.08 g/mol |
| LogP | 3.3166 |
| Topological Polar Surface Area | 83.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.0834 |
| Heavy Atoms | 27 |
| Complexity | 1001.4757 |
Chemical Identifiers
| CAS Number | 618878-67-4 |
|---|---|
| SMILES | C1=CC=NC(=C1)C2C(=C(C(=O)N2CC3=CN=CC=C3)O)C(=O)C4=CC=CS4 |
Product Overview
CBKinase1_005731 (CAS 618878-67-4), with molecular formula C20H15N3O3S and molecular weight 377.08 g/mol. IUPAC: 4-hydroxy-2-pyridin-2-yl-1-(pyridin-3-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
Chemical Property Profile of CBKinase1_005731
Property Insights of CBKinase1_005731
The XLogP value of 3.3166 indicates that CBKinase1_005731 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.39 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_005731. Following Lipinski's Rule of Five, CBKinase1_005731 has 1 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_005731?
The CAS number of CBKinase1_005731 is 618878-67-4.
What is the molecular formula of CBKinase1_005731?
The molecular formula of CBKinase1_005731 is C20H15N3O3S.
What is the molecular weight of CBKinase1_005731?
The molecular weight of CBKinase1_005731 is 377.08 g/mol.
Where can I buy CBKinase1_005731?
You can request a quote for CBKinase1_005731 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005731?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005731 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.