BAS 13557869
TL;DR: BAS 13557869 (CAS 6822-85-1) is a chemical compound with molecular formula C22H16BrN3O3 and molecular weight 449.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromophenyl)-7-ethyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione
Also Known As: BAS 13557869, 5-(4-bromophenyl)-1-ethyl-5,11-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione, 5-(4-bromophenyl)-1-ethyl-1,3,5,11-tetrahydroindeno[2,3-e]pyrimidino[4,5-b]pyr idine-2,4,6-trione
| Molecular Formula | C22H16BrN3O3 |
|---|---|
| Molecular Weight | 449.04 g/mol |
| LogP | 3.484 |
| Topological Polar Surface Area | 83.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 449.0375 |
| Heavy Atoms | 29 |
| Complexity | 1332.6438 |
Chemical Identifiers
| CAS Number | 6822-85-1 |
|---|---|
| SMILES | CCN1C2=C(C(C3=C(N2)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)Br)C(=O)NC1=O |
Product Overview
BAS 13557869 (CAS 6822-85-1), with molecular formula C22H16BrN3O3 and molecular weight 449.04 g/mol. IUPAC: 2-(4-bromophenyl)-7-ethyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione.
Chemical Property Profile of BAS 13557869
Property Insights of BAS 13557869
The XLogP value of 3.484 indicates that BAS 13557869 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.96 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13557869. Following Lipinski's Rule of Five, BAS 13557869 has 2 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 13557869?
The CAS number of BAS 13557869 is 6822-85-1.
What is the molecular formula of BAS 13557869?
The molecular formula of BAS 13557869 is C22H16BrN3O3.
What is the molecular weight of BAS 13557869?
The molecular weight of BAS 13557869 is 449.04 g/mol.
Where can I buy BAS 13557869?
You can request a quote for BAS 13557869 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13557869?
Yes, KEHONG BIO provides custom synthesis services for BAS 13557869 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.