CBKinase1_003846
TL;DR: CBKinase1_003846 (CAS 618365-60-9) is a chemical compound with molecular formula C25H25N3O5 and molecular weight 447.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one
Also Known As: CBKinase1_003846, CBKinase1_016246, AF-399/42016957, 3-(1-benzofuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2-pyridin-3-yl-2H-pyrrol-4-olate, 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one
| Molecular Formula | C25H25N3O5 |
|---|---|
| Molecular Weight | 447.18 g/mol |
| LogP | 3.1284 |
| Topological Polar Surface Area | 96.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 447.1794 |
| Heavy Atoms | 33 |
| Complexity | 1163.9874 |
Chemical Identifiers
| CAS Number | 618365-60-9 |
|---|---|
| SMILES | C1COCCN1CCCN2C(C(=C(C2=O)O)C(=O)C3=CC4=CC=CC=C4O3)C5=CN=CC=C5 |
Product Overview
CBKinase1_003846 (CAS 618365-60-9), with molecular formula C25H25N3O5 and molecular weight 447.18 g/mol. IUPAC: 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one.
Chemical Property Profile of CBKinase1_003846
Property Insights of CBKinase1_003846
The XLogP value of 3.1284 indicates that CBKinase1_003846 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.11 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_003846. Following Lipinski's Rule of Five, CBKinase1_003846 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_003846?
The CAS number of CBKinase1_003846 is 618365-60-9.
What is the molecular formula of CBKinase1_003846?
The molecular formula of CBKinase1_003846 is C25H25N3O5.
What is the molecular weight of CBKinase1_003846?
The molecular weight of CBKinase1_003846 is 447.18 g/mol.
Where can I buy CBKinase1_003846?
You can request a quote for CBKinase1_003846 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003846?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003846 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.