AE-641/13516284
TL;DR: AE-641/13516284 (CAS 307325-33-3) is a chemical compound with molecular formula C21H17ClN6O2 and molecular weight 420.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-7,9-dimethyl-1-phenyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione
Also Known As: AE-641/13516284, F0807-0255, 3-(4-chlorophenyl)-7,9-dimethyl-1-phenyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione, 3-(4-chlorophenyl)-7,9-dimethyl-1-phenyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione, 3-(4-chlorophenyl)-7,9-dimethyl-1-phenyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione
| Molecular Formula | C21H17ClN6O2 |
|---|---|
| Molecular Weight | 420.11 g/mol |
| LogP | 2.6431 |
| Topological Polar Surface Area | 77.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 420.11014 |
| Heavy Atoms | 30 |
| Complexity | 1431.121 |
Chemical Identifiers
| CAS Number | 307325-33-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N3CC(=NN(C3=N2)C4=CC=CC=C4)C5=CC=C(C=C5)Cl |
Product Overview
AE-641/13516284 (CAS 307325-33-3), with molecular formula C21H17ClN6O2 and molecular weight 420.11 g/mol. IUPAC: 3-(4-chlorophenyl)-7,9-dimethyl-1-phenyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione.
Chemical Property Profile of AE-641/13516284
Property Insights of AE-641/13516284
The XLogP value of 2.6431 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AE-641/13516284. The TPSA of 77.42 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-641/13516284. Following Lipinski's Rule of Five, AE-641/13516284 has 0 hydrogen bond donor(s) and 5 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 AE-641/13516284?
The CAS number of AE-641/13516284 is 307325-33-3.
What is the molecular formula of AE-641/13516284?
The molecular formula of AE-641/13516284 is C21H17ClN6O2.
What is the molecular weight of AE-641/13516284?
The molecular weight of AE-641/13516284 is 420.11 g/mol.
Where can I buy AE-641/13516284?
You can request a quote for AE-641/13516284 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-641/13516284?
Yes, KEHONG BIO provides custom synthesis services for AE-641/13516284 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.