VU0510218-1
TL;DR: VU0510218-1 (CAS 577787-17-8) is a chemical compound with molecular formula C18H13N3O2S and molecular weight 335.07 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-(2,3-dihydro-1,4-benzodioxin-6-ylamino)prop-2-enenitrile
Also Known As: VU0510218-1, (E)-2-(benzo[d]thiazol-2-yl)-3-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)amino)acrylonitrile, F3139-1299, (2E)-2-(1,3-benzothiazol-2-yl)-3-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]prop-2-enenitrile, (E)-2-(1,3-benzothiazol-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)prop-2-enenitrile
| Molecular Formula | C18H13N3O2S |
|---|---|
| Molecular Weight | 335.07 g/mol |
| LogP | 4.04408 |
| Topological Polar Surface Area | 67.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.07285 |
| Heavy Atoms | 24 |
| Complexity | 938.7995 |
Chemical Identifiers
| CAS Number | 577787-17-8 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)N/C=C(\C#N)/C3=NC4=CC=CC=C4S3 |
Product Overview
VU0510218-1 (CAS 577787-17-8), with molecular formula C18H13N3O2S and molecular weight 335.07 g/mol. IUPAC: (E)-2-(1,3-benzothiazol-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)prop-2-enenitrile.
Chemical Property Profile of VU0510218-1
Property Insights of VU0510218-1
The XLogP value of 4.04408 indicates that VU0510218-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.17 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0510218-1. Following Lipinski's Rule of Five, VU0510218-1 has 1 hydrogen bond donor(s) and 6 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 VU0510218-1?
The CAS number of VU0510218-1 is 577787-17-8.
What is the molecular formula of VU0510218-1?
The molecular formula of VU0510218-1 is C18H13N3O2S.
What is the molecular weight of VU0510218-1?
The molecular weight of VU0510218-1 is 335.07 g/mol.
Where can I buy VU0510218-1?
You can request a quote for VU0510218-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0510218-1?
Yes, KEHONG BIO provides custom synthesis services for VU0510218-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.