BAS 00822020
TL;DR: BAS 00822020 (CAS 42340-37-4) is a chemical compound with molecular formula C20H13N3O5 and molecular weight 375.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(6-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl]acetamide
Also Known As: BAS 00822020, BIM-0028969.P001, F0433-0529, N-(4-{8-nitro-2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaen-3-yl}phenyl)acetamide, N-[4-(6-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl]acetamide
| Molecular Formula | C20H13N3O5 |
|---|---|
| Molecular Weight | 375.09 g/mol |
| LogP | 3.507 |
| Topological Polar Surface Area | 109.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 375.0855 |
| Heavy Atoms | 28 |
| Complexity | 1162.1655 |
Chemical Identifiers
| CAS Number | 42340-37-4 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)N2C(=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=C4C2=O |
Product Overview
BAS 00822020 (CAS 42340-37-4), with molecular formula C20H13N3O5 and molecular weight 375.09 g/mol. IUPAC: N-[4-(6-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl]acetamide.
Chemical Property Profile of BAS 00822020
Property Insights of BAS 00822020
The XLogP value of 3.507 indicates that BAS 00822020 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.62 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00822020. Following Lipinski's Rule of Five, BAS 00822020 has 1 hydrogen bond donor(s) and 5 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 00822020?
The CAS number of BAS 00822020 is 42340-37-4.
What is the molecular formula of BAS 00822020?
The molecular formula of BAS 00822020 is C20H13N3O5.
What is the molecular weight of BAS 00822020?
The molecular weight of BAS 00822020 is 375.09 g/mol.
Where can I buy BAS 00822020?
You can request a quote for BAS 00822020 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00822020?
Yes, KEHONG BIO provides custom synthesis services for BAS 00822020 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.