CBKinase1_005430
TL;DR: CBKinase1_005430 (CAS 618877-76-2) is a chemical compound with molecular formula C20H21N3O4S and molecular weight 399.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-1-(2-morpholin-4-ylethyl)-2-pyridin-2-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
Also Known As: CBKinase1_005430, CBKinase1_017830, 3-hydroxy-1-(2-morpholinoethyl)-5-(pyridin-2-yl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one, 4-hydroxy-1-(2-morpholin-4-ylethyl)-2-pyridin-2-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one, 3-hydroxy-1-(2-morpholinoethyl)-5-(2-pyridyl)-4-(2-thenoyl)-3-pyrrolin-2-one
| Molecular Formula | C20H21N3O4S |
|---|---|
| Molecular Weight | 399.13 g/mol |
| LogP | 2.0536 |
| Topological Polar Surface Area | 82.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 399.12527 |
| Heavy Atoms | 28 |
| Complexity | 876.1205 |
Chemical Identifiers
| CAS Number | 618877-76-2 |
|---|---|
| SMILES | C1COCCN1CCN2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=CC=CC=N4 |
Product Overview
CBKinase1_005430 (CAS 618877-76-2), with molecular formula C20H21N3O4S and molecular weight 399.13 g/mol. IUPAC: 4-hydroxy-1-(2-morpholin-4-ylethyl)-2-pyridin-2-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
Chemical Property Profile of CBKinase1_005430
Property Insights of CBKinase1_005430
The XLogP value of 2.0536 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_005430. The TPSA of 82.97 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_005430. Following Lipinski's Rule of Five, CBKinase1_005430 has 1 hydrogen bond donor(s) and 7 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_005430?
The CAS number of CBKinase1_005430 is 618877-76-2.
What is the molecular formula of CBKinase1_005430?
The molecular formula of CBKinase1_005430 is C20H21N3O4S.
What is the molecular weight of CBKinase1_005430?
The molecular weight of CBKinase1_005430 is 399.13 g/mol.
Where can I buy CBKinase1_005430?
You can request a quote for CBKinase1_005430 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005430?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005430 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.