VU0513516-1
TL;DR: VU0513516-1 (CAS 378207-95-5) is a chemical compound with molecular formula C21H17N3O4S and molecular weight 407.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(3,4-dimethoxyanilino)prop-2-enenitrile
Also Known As: VU0513516-1, (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((3,4-dimethoxyphenyl)amino)acrylonitrile, F3220-0872, (E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(3,4-dimethoxyanilino)prop-2-enenitrile, (2E)-2-[4-(2H-1,3-BENZODIOXOL-5-YL)-1,3-THIAZOL-2-YL]-3-[(3,4-DIMETHOXYPHENYL)AMINO]PROP-2-ENENITRILE
| Molecular Formula | C21H17N3O4S |
|---|---|
| Molecular Weight | 407.09 g/mol |
| LogP | 4.53258 |
| Topological Polar Surface Area | 85.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 407.09396 |
| Heavy Atoms | 29 |
| Complexity | 1117.3542 |
Chemical Identifiers
| CAS Number | 378207-95-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)N/C=C(\C#N)/C2=NC(=CS2)C3=CC4=C(C=C3)OCO4)OC |
Product Overview
VU0513516-1 (CAS 378207-95-5), with molecular formula C21H17N3O4S and molecular weight 407.09 g/mol. IUPAC: (E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(3,4-dimethoxyanilino)prop-2-enenitrile.
Chemical Property Profile of VU0513516-1
Property Insights of VU0513516-1
The XLogP value of 4.53258 indicates that VU0513516-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.63 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0513516-1. Following Lipinski's Rule of Five, VU0513516-1 has 1 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 VU0513516-1?
The CAS number of VU0513516-1 is 378207-95-5.
What is the molecular formula of VU0513516-1?
The molecular formula of VU0513516-1 is C21H17N3O4S.
What is the molecular weight of VU0513516-1?
The molecular weight of VU0513516-1 is 407.09 g/mol.
Where can I buy VU0513516-1?
You can request a quote for VU0513516-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0513516-1?
Yes, KEHONG BIO provides custom synthesis services for VU0513516-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.