VU0510171-1
TL;DR: VU0510171-1 (CAS 385382-17-2) is a chemical compound with molecular formula C18H11ClN2O2S and molecular weight 354.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(1,3-benzothiazol-2-yl)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)prop-2-enenitrile
Also Known As: VU0510171-1, (E)-2-(benzo[d]thiazol-2-yl)-3-(6-chloro-4H-benzo[d][1,3]dioxin-8-yl)acrylonitrile, F3139-1059, (2E)-2-(1,3-BENZOTHIAZOL-2-YL)-3-(6-CHLORO-2,4-DIHYDRO-1,3-BENZODIOXIN-8-YL)PROP-2-ENENITRILE, (E)-2-(1,3-benzothiazol-2-yl)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)prop-2-enenitrile
| Molecular Formula | C18H11ClN2O2S |
|---|---|
| Molecular Weight | 354.02 g/mol |
| LogP | 4.88038 |
| Topological Polar Surface Area | 55.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 354.02298 |
| Heavy Atoms | 24 |
| Complexity | 970.9117 |
Chemical Identifiers
| CAS Number | 385382-17-2 |
|---|---|
| SMILES | C1C2=C(C(=CC(=C2)Cl)/C=C(\C#N)/C3=NC4=CC=CC=C4S3)OCO1 |
Product Overview
VU0510171-1 (CAS 385382-17-2), with molecular formula C18H11ClN2O2S and molecular weight 354.02 g/mol. IUPAC: (E)-2-(1,3-benzothiazol-2-yl)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)prop-2-enenitrile.
Chemical Property Profile of VU0510171-1
Property Insights of VU0510171-1
The XLogP value of 4.88038 indicates that VU0510171-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.14 Ų, VU0510171-1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, VU0510171-1 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 VU0510171-1?
The CAS number of VU0510171-1 is 385382-17-2.
What is the molecular formula of VU0510171-1?
The molecular formula of VU0510171-1 is C18H11ClN2O2S.
What is the molecular weight of VU0510171-1?
The molecular weight of VU0510171-1 is 354.02 g/mol.
Where can I buy VU0510171-1?
You can request a quote for VU0510171-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0510171-1?
Yes, KEHONG BIO provides custom synthesis services for VU0510171-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.