CBKinase1_001587
TL;DR: CBKinase1_001587 (CAS 380576-53-4) is a chemical compound with molecular formula C20H21N3O6 and molecular weight 399.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(dimethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-nitrophenyl)-2H-pyrrol-5-one
Also Known As: CBKinase1_001587, CBKinase1_013987, UPCMLD0ENAT5967824:001, AB00114504-01, 1-(3-(dimethylamino)propyl)-4-(furan-2-carbonyl)-3-hydroxy-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C20H21N3O6 |
|---|---|
| Molecular Weight | 399.14 g/mol |
| LogP | 2.7178 |
| Topological Polar Surface Area | 117.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 399.14304 |
| Heavy Atoms | 29 |
| Complexity | 964.35596 |
Chemical Identifiers
| CAS Number | 380576-53-4 |
|---|---|
| SMILES | CN(C)CCCN1C(C(=C(C1=O)O)C(=O)C2=CC=CO2)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
CBKinase1_001587 (CAS 380576-53-4), with molecular formula C20H21N3O6 and molecular weight 399.14 g/mol. IUPAC: 1-[3-(dimethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-nitrophenyl)-2H-pyrrol-5-one.
Chemical Property Profile of CBKinase1_001587
Property Insights of CBKinase1_001587
The XLogP value of 2.7178 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_001587. The TPSA of 117.13 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_001587. Following Lipinski's Rule of Five, CBKinase1_001587 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_001587?
The CAS number of CBKinase1_001587 is 380576-53-4.
What is the molecular formula of CBKinase1_001587?
The molecular formula of CBKinase1_001587 is C20H21N3O6.
What is the molecular weight of CBKinase1_001587?
The molecular weight of CBKinase1_001587 is 399.14 g/mol.
Where can I buy CBKinase1_001587?
You can request a quote for CBKinase1_001587 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_001587?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_001587 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.