ChemDiv1_026399
TL;DR: ChemDiv1_026399 (CAS 309731-14-4) is a chemical compound with molecular formula C21H13Cl2N3O3 and molecular weight 425.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4-dichlorophenyl)-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_026399, 5-(2,4-dichlorophenyl)-1-methyl-5,11-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione, A2237/0094167, 2-(2,4-Dichlorophenyl)-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, 5-(2,4-dichlorophenyl)-1-methyl-1,3,5,11-tetrahydroindeno[2,3-e]pyrimidino[4,5 -b]pyridine-2,4,6-trione
| Molecular Formula | C21H13Cl2N3O3 |
|---|---|
| Molecular Weight | 425.03 g/mol |
| LogP | 3.5454 |
| Topological Polar Surface Area | 83.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 425.0334 |
| Heavy Atoms | 29 |
| Complexity | 1384.6492 |
Chemical Identifiers
| CAS Number | 309731-14-4 |
|---|---|
| SMILES | CN1C2=C(C(C3=C(N2)C4=CC=CC=C4C3=O)C5=C(C=C(C=C5)Cl)Cl)C(=O)NC1=O |
Product Overview
ChemDiv1_026399 (CAS 309731-14-4), with molecular formula C21H13Cl2N3O3 and molecular weight 425.03 g/mol. IUPAC: 2-(2,4-dichlorophenyl)-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_026399
Property Insights of ChemDiv1_026399
The XLogP value of 3.5454 indicates that ChemDiv1_026399 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_026399. Following Lipinski's Rule of Five, ChemDiv1_026399 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_026399?
The CAS number of ChemDiv1_026399 is 309731-14-4.
What is the molecular formula of ChemDiv1_026399?
The molecular formula of ChemDiv1_026399 is C21H13Cl2N3O3.
What is the molecular weight of ChemDiv1_026399?
The molecular weight of ChemDiv1_026399 is 425.03 g/mol.
Where can I buy ChemDiv1_026399?
You can request a quote for ChemDiv1_026399 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_026399?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_026399 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.