ChemDiv1_021365
TL;DR: ChemDiv1_021365 (CAS 351223-69-3) 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-(3-bromophenyl)-5,7-dimethyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-3(8),9,11,13,15-pentaene-4,6,17-trione
Also Known As: ChemDiv1_021365, BAS 01173354, 5-(3-bromophenyl)-1,3-dimethyl-5,5a-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione, 2-(3-BROMOPHENYL)-5,7-DIMETHYL-5,7,9-TRIAZATETRACYCLO[8.7.0.0(3),?.0(1)(1),(1)?]HEPTADECA-3(8),9,11(16),12,14-PENTAENE-4,6,17-TRIONE, 5-(3-Bromo-phenyl)-1,3-dimethyl-5,5a-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6-trione
| Molecular Formula | C22H16BrN3O3 |
|---|---|
| Molecular Weight | 449.04 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 70.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 449.0375 |
| Heavy Atoms | 29 |
| Complexity | 850.0 |
Chemical Identifiers
| CAS Number | 351223-69-3 |
|---|---|
| SMILES | CN1C2=C(C(C3C(=N2)C4=CC=CC=C4C3=O)C5=CC(=CC=C5)Br)C(=O)N(C1=O)C |
| InChIKey | XOQZTAPCRBYCKW-UHFFFAOYSA-N |
Product Overview
ChemDiv1_021365 (CAS 351223-69-3), with molecular formula C22H16BrN3O3 and molecular weight 449.04 g/mol. IUPAC: 2-(3-bromophenyl)-5,7-dimethyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-3(8),9,11,13,15-pentaene-4,6,17-trione.
Chemical Property Profile of ChemDiv1_021365
Property Insights of ChemDiv1_021365
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_021365. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_021365. Following Lipinski's Rule of Five, ChemDiv1_021365 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 ChemDiv1_021365?
The CAS number of ChemDiv1_021365 is 351223-69-3.
What is the molecular formula of ChemDiv1_021365?
The molecular formula of ChemDiv1_021365 is C22H16BrN3O3.
What is the molecular weight of ChemDiv1_021365?
The molecular weight of ChemDiv1_021365 is 449.04 g/mol.
Where can I buy ChemDiv1_021365?
You can request a quote for ChemDiv1_021365 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021365?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021365 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.