CBKinase1_001729
TL;DR: CBKinase1_001729 (CAS 381197-13-3) is a chemical compound with molecular formula C21H21ClN2O4S and molecular weight 432.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
Also Known As: CBKinase1_001729, CBKinase1_014129, BAS 03302620, UPCMLD0ENAT5961915:001, AB00116130-01
| Molecular Formula | C21H21ClN2O4S |
|---|---|
| Molecular Weight | 432.09 g/mol |
| LogP | 3.312 |
| Topological Polar Surface Area | 70.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 432.09106 |
| Heavy Atoms | 29 |
| Complexity | 920.66754 |
Chemical Identifiers
| CAS Number | 381197-13-3 |
|---|---|
| SMILES | C1COCCN1CCN2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=CC=C(C=C4)Cl |
Product Overview
CBKinase1_001729 (CAS 381197-13-3), with molecular formula C21H21ClN2O4S and molecular weight 432.09 g/mol. IUPAC: 2-(4-chlorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
Chemical Property Profile of CBKinase1_001729
Property Insights of CBKinase1_001729
The XLogP value of 3.312 indicates that CBKinase1_001729 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.08 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_001729. Following Lipinski's Rule of Five, CBKinase1_001729 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_001729?
The CAS number of CBKinase1_001729 is 381197-13-3.
What is the molecular formula of CBKinase1_001729?
The molecular formula of CBKinase1_001729 is C21H21ClN2O4S.
What is the molecular weight of CBKinase1_001729?
The molecular weight of CBKinase1_001729 is 432.09 g/mol.
Where can I buy CBKinase1_001729?
You can request a quote for CBKinase1_001729 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_001729?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_001729 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.