VU0510172-1
TL;DR: VU0510172-1 (CAS 586995-94-0) is a chemical compound with molecular formula C18H11ClN2O3 and molecular weight 338.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(1,3-benzoxazol-2-yl)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)prop-2-enenitrile
Also Known As: VU0510172-1, (E)-2-(benzo[d]oxazol-2-yl)-3-(6-chloro-4H-benzo[d][1,3]dioxin-8-yl)acrylonitrile, F3139-1060, (2E)-2-(1,3-BENZOXAZOL-2-YL)-3-(6-CHLORO-2,4-DIHYDRO-1,3-BENZODIOXIN-8-YL)PROP-2-ENENITRILE, (E)-2-(1,3-benzoxazol-2-yl)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)prop-2-enenitrile
| Molecular Formula | C18H11ClN2O3 |
|---|---|
| Molecular Weight | 338.05 g/mol |
| LogP | 4.41188 |
| Topological Polar Surface Area | 68.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 338.0458 |
| Heavy Atoms | 24 |
| Complexity | 968.1568 |
Chemical Identifiers
| CAS Number | 586995-94-0 |
|---|---|
| SMILES | C1C2=C(C(=CC(=C2)Cl)/C=C(\C#N)/C3=NC4=CC=CC=C4O3)OCO1 |
Product Overview
VU0510172-1 (CAS 586995-94-0), with molecular formula C18H11ClN2O3 and molecular weight 338.05 g/mol. IUPAC: (E)-2-(1,3-benzoxazol-2-yl)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)prop-2-enenitrile.
Chemical Property Profile of VU0510172-1
Property Insights of VU0510172-1
The XLogP value of 4.41188 indicates that VU0510172-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.28 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0510172-1. Following Lipinski's Rule of Five, VU0510172-1 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 VU0510172-1?
The CAS number of VU0510172-1 is 586995-94-0.
What is the molecular formula of VU0510172-1?
The molecular formula of VU0510172-1 is C18H11ClN2O3.
What is the molecular weight of VU0510172-1?
The molecular weight of VU0510172-1 is 338.05 g/mol.
Where can I buy VU0510172-1?
You can request a quote for VU0510172-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0510172-1?
Yes, KEHONG BIO provides custom synthesis services for VU0510172-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.