A2162/0090818
TL;DR: A2162/0090818 (CAS 70598-96-8) is a chemical compound with molecular formula C15H13BrN6O2 and molecular weight 388.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromophenyl)-7,9-dimethyl-1,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione
Also Known As: A2162/0090818, 3-(4-bromophenyl)-7,9-dimethyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione, 3-(4-bromophenyl)-7,9-dimethyl-1,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione, 3-(4-BROMOPHENYL)-7,9-DIMETHYL-1H,4H,6H,7H,8H,9H-[1,2,4]TRIAZINO[4,3-G]PURINE-6,8-DIONE, 3-(4-bromophenyl)-7,9-dimethyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione
| Molecular Formula | C15H13BrN6O2 |
|---|---|
| Molecular Weight | 388.03 g/mol |
| LogP | 1.026 |
| Topological Polar Surface Area | 86.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 388.02835 |
| Heavy Atoms | 24 |
| Complexity | 1120.0474 |
Chemical Identifiers
| CAS Number | 70598-96-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N3CC(=NNC3=N2)C4=CC=C(C=C4)Br |
Product Overview
A2162/0090818 (CAS 70598-96-8), with molecular formula C15H13BrN6O2 and molecular weight 388.03 g/mol. IUPAC: 3-(4-bromophenyl)-7,9-dimethyl-1,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione.
Chemical Property Profile of A2162/0090818
Property Insights of A2162/0090818
The XLogP value of 1.026 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A2162/0090818. The TPSA of 86.21 Ų falls within the moderate polarity range, balancing permeability and solubility for A2162/0090818. Following Lipinski's Rule of Five, A2162/0090818 has 1 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 A2162/0090818?
The CAS number of A2162/0090818 is 70598-96-8.
What is the molecular formula of A2162/0090818?
The molecular formula of A2162/0090818 is C15H13BrN6O2.
What is the molecular weight of A2162/0090818?
The molecular weight of A2162/0090818 is 388.03 g/mol.
Where can I buy A2162/0090818?
You can request a quote for A2162/0090818 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2162/0090818?
Yes, KEHONG BIO provides custom synthesis services for A2162/0090818 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.