VU0489635-1
TL;DR: VU0489635-1 (CAS 872591-12-3) is a chemical compound with molecular formula C23H22N6O2 and molecular weight 414.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(3,4-dimethylphenyl)triazolo[4,5-d]pyrimidin-7-one
Also Known As: VU0489635-1, F1876-0836, 3-(3,4-dimethylphenyl)-6-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one, 6-(2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl)-3-(3,4-dimethylphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one, 6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(3,4-dimethylphenyl)triazolo[4,5-d]pyrimidin-7-one
| Molecular Formula | C23H22N6O2 |
|---|---|
| Molecular Weight | 414.18 g/mol |
| LogP | 2.57344 |
| Topological Polar Surface Area | 85.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 414.18042 |
| Heavy Atoms | 31 |
| Complexity | 1370.2521 |
Chemical Identifiers
| CAS Number | 872591-12-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C3=C(C(=O)N(C=N3)CC(=O)N4CCCC5=CC=CC=C54)N=N2)C |
Product Overview
VU0489635-1 (CAS 872591-12-3), with molecular formula C23H22N6O2 and molecular weight 414.18 g/mol. IUPAC: 6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(3,4-dimethylphenyl)triazolo[4,5-d]pyrimidin-7-one.
Chemical Property Profile of VU0489635-1
Property Insights of VU0489635-1
The XLogP value of 2.57344 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0489635-1. The TPSA of 85.91 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0489635-1. Following Lipinski's Rule of Five, VU0489635-1 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 VU0489635-1?
The CAS number of VU0489635-1 is 872591-12-3.
What is the molecular formula of VU0489635-1?
The molecular formula of VU0489635-1 is C23H22N6O2.
What is the molecular weight of VU0489635-1?
The molecular weight of VU0489635-1 is 414.18 g/mol.
Where can I buy VU0489635-1?
You can request a quote for VU0489635-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0489635-1?
Yes, KEHONG BIO provides custom synthesis services for VU0489635-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.