ChemDiv1_022772
TL;DR: ChemDiv1_022772 (CAS 332382-63-5) is a chemical compound with molecular formula C21H14BrN3O3 and molecular weight 435.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-bromophenyl)-7-methyl-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: ChemDiv1_022772, DivK1c_004036, CDS1_002996, BAS 01520463, 5-(3-bromophenyl)-1-methyl-5,11-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione
| Molecular Formula | C21H14BrN3O3 |
|---|---|
| Molecular Weight | 435.02 g/mol |
| LogP | 3.0011 |
| Topological Polar Surface Area | 83.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 435.02185 |
| Heavy Atoms | 28 |
| Complexity | 1333.2079 |
Chemical Identifiers
| CAS Number | 332382-63-5 |
|---|---|
| SMILES | CN1C2=C(C(C3=C(N2)C4=CC=CC=C4C3=O)C5=CC(=CC=C5)Br)C(=O)NC1=O |
Product Overview
ChemDiv1_022772 (CAS 332382-63-5), with molecular formula C21H14BrN3O3 and molecular weight 435.02 g/mol. IUPAC: 2-(3-bromophenyl)-7-methyl-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 ChemDiv1_022772
Property Insights of ChemDiv1_022772
The XLogP value of 3.0011 indicates that ChemDiv1_022772 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 ChemDiv1_022772. Following Lipinski's Rule of Five, ChemDiv1_022772 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 ChemDiv1_022772?
The CAS number of ChemDiv1_022772 is 332382-63-5.
What is the molecular formula of ChemDiv1_022772?
The molecular formula of ChemDiv1_022772 is C21H14BrN3O3.
What is the molecular weight of ChemDiv1_022772?
The molecular weight of ChemDiv1_022772 is 435.02 g/mol.
Where can I buy ChemDiv1_022772?
You can request a quote for ChemDiv1_022772 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022772?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022772 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.