VU0499212-1
TL;DR: VU0499212-1 (CAS 896367-72-9) is a chemical compound with molecular formula C17H19N7O2 and molecular weight 353.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-methyltriazolo[4,5-d]pyrimidine
Also Known As: VU0499212-1, F2792-0056, 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}piperazine, 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-methyltriazolo[4,5-d]pyrimidine, 7-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine
| Molecular Formula | C17H19N7O2 |
|---|---|
| Molecular Weight | 353.16 g/mol |
| LogP | 0.8092 |
| Topological Polar Surface Area | 81.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 353.16003 |
| Heavy Atoms | 26 |
| Complexity | 949.43445 |
Chemical Identifiers
| CAS Number | 896367-72-9 |
|---|---|
| SMILES | CN1C2=C(C(=NC=N2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)N=N1 |
Product Overview
VU0499212-1 (CAS 896367-72-9), with molecular formula C17H19N7O2 and molecular weight 353.16 g/mol. IUPAC: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-methyltriazolo[4,5-d]pyrimidine.
Chemical Property Profile of VU0499212-1
Property Insights of VU0499212-1
The XLogP value of 0.8092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0499212-1. The TPSA of 81.43 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0499212-1. Following Lipinski's Rule of Five, VU0499212-1 has 0 hydrogen bond donor(s) and 8 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 VU0499212-1?
The CAS number of VU0499212-1 is 896367-72-9.
What is the molecular formula of VU0499212-1?
The molecular formula of VU0499212-1 is C17H19N7O2.
What is the molecular weight of VU0499212-1?
The molecular weight of VU0499212-1 is 353.16 g/mol.
Where can I buy VU0499212-1?
You can request a quote for VU0499212-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0499212-1?
Yes, KEHONG BIO provides custom synthesis services for VU0499212-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.