ChemDiv1_018168
TL;DR: ChemDiv1_018168 (CAS 383385-59-9) is a chemical compound with molecular formula C22H19BrN6O2 and molecular weight 478.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-(4-bromophenyl)-7,9-dimethyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione
Also Known As: ChemDiv1_018168, A2650/0112905, 1-benzyl-3-(4-bromophenyl)-7,9-dimethyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione, 1-benzyl-3-(4-bromophenyl)-7,9-dimethyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione, 1-BENZYL-3-(4-BROMOPHENYL)-7,9-DIMETHYL-1H,4H,6H,7H,8H,9H-[1,2,4]TRIAZINO[4,3-G]PURINE-6,8-DIONE
| Molecular Formula | C22H19BrN6O2 |
|---|---|
| Molecular Weight | 478.08 g/mol |
| LogP | 2.6207 |
| Topological Polar Surface Area | 77.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 478.0753 |
| Heavy Atoms | 31 |
| Complexity | 1448.1256 |
Chemical Identifiers
| CAS Number | 383385-59-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N3CC(=NN(C3=N2)CC4=CC=CC=C4)C5=CC=C(C=C5)Br |
Product Overview
ChemDiv1_018168 (CAS 383385-59-9), with molecular formula C22H19BrN6O2 and molecular weight 478.08 g/mol. IUPAC: 1-benzyl-3-(4-bromophenyl)-7,9-dimethyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione.
Chemical Property Profile of ChemDiv1_018168
Property Insights of ChemDiv1_018168
The XLogP value of 2.6207 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_018168. The TPSA of 77.42 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_018168. Following Lipinski's Rule of Five, ChemDiv1_018168 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 ChemDiv1_018168?
The CAS number of ChemDiv1_018168 is 383385-59-9.
What is the molecular formula of ChemDiv1_018168?
The molecular formula of ChemDiv1_018168 is C22H19BrN6O2.
What is the molecular weight of ChemDiv1_018168?
The molecular weight of ChemDiv1_018168 is 478.08 g/mol.
Where can I buy ChemDiv1_018168?
You can request a quote for ChemDiv1_018168 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_018168?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_018168 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.