VU0626316-1
TL;DR: VU0626316-1 (CAS 958952-07-3) is a chemical compound with molecular formula C26H25N7O2S and molecular weight 499.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-8,9-dimethoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanylmethyl]benzonitrile
Also Known As: VU0626316-1, 4-[({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)methyl]benzonitrile, 4-[({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy[1,2,4]triazolo[1,5-c]quinazolin-5-yl}thio)methyl]benzonitrile, 4-[[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-8,9-dimethoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanylmethyl]benzonitrile, 4-(((2-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-8,9-dimethoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)thio)methyl)benzonitrile
| Molecular Formula | C26H25N7O2S |
|---|---|
| Molecular Weight | 499.18 g/mol |
| LogP | 4.51472 |
| Topological Polar Surface Area | 103.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 499.17905 |
| Heavy Atoms | 36 |
| Complexity | 1599.4475 |
Chemical Identifiers
| CAS Number | 958952-07-3 |
|---|---|
| SMILES | CC1=CC(=NN1CCC2=NN3C(=N2)C4=CC(=C(C=C4N=C3SCC5=CC=C(C=C5)C#N)OC)OC)C |
Product Overview
VU0626316-1 (CAS 958952-07-3), with molecular formula C26H25N7O2S and molecular weight 499.18 g/mol. IUPAC: 4-[[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-8,9-dimethoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanylmethyl]benzonitrile.
Chemical Property Profile of VU0626316-1
Property Insights of VU0626316-1
The XLogP value of 4.51472 indicates that VU0626316-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.15 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0626316-1. Following Lipinski's Rule of Five, VU0626316-1 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 VU0626316-1?
The CAS number of VU0626316-1 is 958952-07-3.
What is the molecular formula of VU0626316-1?
The molecular formula of VU0626316-1 is C26H25N7O2S.
What is the molecular weight of VU0626316-1?
The molecular weight of VU0626316-1 is 499.18 g/mol.
Where can I buy VU0626316-1?
You can request a quote for VU0626316-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0626316-1?
Yes, KEHONG BIO provides custom synthesis services for VU0626316-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.