ChemDiv3_005219
TL;DR: ChemDiv3_005219 (CAS 305343-64-0) is a chemical compound with molecular formula C22H16ClN3O3 and molecular weight 405.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-chlorophenyl)-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: ChemDiv3_005219, IDI1_023129, BAS 00416509, AB00086103-01, 5-(3-chlorophenyl)-1,3-dimethyl-5,5a-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione
| Molecular Formula | C22H16ClN3O3 |
|---|---|
| Molecular Weight | 405.09 g/mol |
| LogP | 2.8162 |
| Topological Polar Surface Area | 73.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 405.088 |
| Heavy Atoms | 29 |
| Complexity | 1366.4459 |
Chemical Identifiers
| CAS Number | 305343-64-0 |
|---|---|
| SMILES | CN1C2=C(C(C3C(=N2)C4=CC=CC=C4C3=O)C5=CC(=CC=C5)Cl)C(=O)N(C1=O)C |
Product Overview
ChemDiv3_005219 (CAS 305343-64-0), with molecular formula C22H16ClN3O3 and molecular weight 405.09 g/mol. IUPAC: 2-(3-chlorophenyl)-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 ChemDiv3_005219
Property Insights of ChemDiv3_005219
The XLogP value of 2.8162 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_005219. The TPSA of 73.43 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_005219. Following Lipinski's Rule of Five, ChemDiv3_005219 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 ChemDiv3_005219?
The CAS number of ChemDiv3_005219 is 305343-64-0.
What is the molecular formula of ChemDiv3_005219?
The molecular formula of ChemDiv3_005219 is C22H16ClN3O3.
What is the molecular weight of ChemDiv3_005219?
The molecular weight of ChemDiv3_005219 is 405.09 g/mol.
Where can I buy ChemDiv3_005219?
You can request a quote for ChemDiv3_005219 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_005219?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_005219 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.