A2650/0112903
TL;DR: A2650/0112903 (CAS 370072-13-2) is a chemical compound with molecular formula C17H17BrN6O3 and molecular weight 432.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromophenyl)-1-(2-hydroxyethyl)-7,9-dimethyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione
Also Known As: A2650/0112903, 3-(4-bromophenyl)-1-(2-hydroxyethyl)-7,9-dimethyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione, 3-(4-bromophenyl)-1-(2-hydroxyethyl)-7,9-dimethyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione, 3-(4-BROMOPHENYL)-1-(2-HYDROXYETHYL)-7,9-DIMETHYL-1H,4H,6H,7H,8H,9H-[1,2,4]TRIAZINO[4,3-G]PURINE-6,8-DIONE, 3-(4-bromophenyl)-1-(2-hydroxyethyl)-7,9-dimethyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione
| Molecular Formula | C17H17BrN6O3 |
|---|---|
| Molecular Weight | 432.05 g/mol |
| LogP | 0.4128 |
| Topological Polar Surface Area | 97.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 432.05453 |
| Heavy Atoms | 27 |
| Complexity | 1188.5747 |
Chemical Identifiers
| CAS Number | 370072-13-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N3CC(=NN(C3=N2)CCO)C4=CC=C(C=C4)Br |
Product Overview
A2650/0112903 (CAS 370072-13-2), with molecular formula C17H17BrN6O3 and molecular weight 432.05 g/mol. IUPAC: 3-(4-bromophenyl)-1-(2-hydroxyethyl)-7,9-dimethyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione.
Chemical Property Profile of A2650/0112903
Property Insights of A2650/0112903
The XLogP value of 0.4128 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A2650/0112903. The TPSA of 97.65 Ų falls within the moderate polarity range, balancing permeability and solubility for A2650/0112903. Following Lipinski's Rule of Five, A2650/0112903 has 1 hydrogen bond donor(s) and 6 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 A2650/0112903?
The CAS number of A2650/0112903 is 370072-13-2.
What is the molecular formula of A2650/0112903?
The molecular formula of A2650/0112903 is C17H17BrN6O3.
What is the molecular weight of A2650/0112903?
The molecular weight of A2650/0112903 is 432.05 g/mol.
Where can I buy A2650/0112903?
You can request a quote for A2650/0112903 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2650/0112903?
Yes, KEHONG BIO provides custom synthesis services for A2650/0112903 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.