BAS 00873222
TL;DR: BAS 00873222 (CAS 304645-39-4) is a chemical compound with molecular formula C25H22BrN3O3 and molecular weight 491.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[4-(2-bromobenzoyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione
Also Known As: BAS 00873222, UPCMLD0ENAT0501-4345:001, 2-(2-(4-(2-bromobenzoyl)piperazin-1-yl)ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, F0294-0005, AF-399/12154209
| Molecular Formula | C25H22BrN3O3 |
|---|---|
| Molecular Weight | 491.08 g/mol |
| LogP | 3.6563 |
| Topological Polar Surface Area | 60.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 491.08444 |
| Heavy Atoms | 32 |
| Complexity | 1183.3341 |
Chemical Identifiers
| CAS Number | 304645-39-4 |
|---|---|
| SMILES | C1CN(CCN1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=O)C5=CC=CC=C5Br |
Product Overview
BAS 00873222 (CAS 304645-39-4), with molecular formula C25H22BrN3O3 and molecular weight 491.08 g/mol. IUPAC: 2-[2-[4-(2-bromobenzoyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of BAS 00873222
Property Insights of BAS 00873222
The XLogP value of 3.6563 indicates that BAS 00873222 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.93 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00873222. Following Lipinski's Rule of Five, BAS 00873222 has 0 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 00873222?
The CAS number of BAS 00873222 is 304645-39-4.
What is the molecular formula of BAS 00873222?
The molecular formula of BAS 00873222 is C25H22BrN3O3.
What is the molecular weight of BAS 00873222?
The molecular weight of BAS 00873222 is 491.08 g/mol.
Where can I buy BAS 00873222?
You can request a quote for BAS 00873222 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00873222?
Yes, KEHONG BIO provides custom synthesis services for BAS 00873222 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.