BAS 00791801
TL;DR: BAS 00791801 (CAS 325850-97-3) is a chemical compound with molecular formula C21H22N2O4 and molecular weight 366.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)butanamide
Also Known As: BAS 00791801, BIM-0027320.P001, F0223-0036, 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N-(tetrahydrofuran-2-ylmethyl)butanamide, 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)butanamide
| Molecular Formula | C21H22N2O4 |
|---|---|
| Molecular Weight | 366.16 g/mol |
| LogP | 2.5112 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 366.15796 |
| Heavy Atoms | 27 |
| Complexity | 851.4398 |
Chemical Identifiers
| CAS Number | 325850-97-3 |
|---|---|
| SMILES | C1CC(OC1)CNC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O |
Product Overview
BAS 00791801 (CAS 325850-97-3), with molecular formula C21H22N2O4 and molecular weight 366.16 g/mol. IUPAC: 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)butanamide.
Chemical Property Profile of BAS 00791801
Property Insights of BAS 00791801
The XLogP value of 2.5112 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00791801. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00791801. Following Lipinski's Rule of Five, BAS 00791801 has 1 hydrogen bond donor(s) and 4 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 BAS 00791801?
The CAS number of BAS 00791801 is 325850-97-3.
What is the molecular formula of BAS 00791801?
The molecular formula of BAS 00791801 is C21H22N2O4.
What is the molecular weight of BAS 00791801?
The molecular weight of BAS 00791801 is 366.16 g/mol.
Where can I buy BAS 00791801?
You can request a quote for BAS 00791801 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00791801?
Yes, KEHONG BIO provides custom synthesis services for BAS 00791801 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.