![(E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(4-ethoxyphenyl)thiazol-2-yl)acrylonitrile structure](/static/products/3782/378206-22-5.webp)
(E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(4-ethoxyphenyl)thiazol-2-yl)acrylonitrile
TL;DR: (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(4-ethoxyphenyl)thiazol-2-yl)acrylonitrile (CAS 378206-22-5) is a chemical compound with molecular formula C21H17N3O3S and molecular weight 391.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(1,3-benzodioxol-5-ylamino)-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(4-ethoxyphenyl)thiazol-2-yl)acrylonitrile, AB00685159-01, F0760-2235, (2E)-3-[(2H-1,3-benzodioxol-5-yl)amino]-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile, (E)-3-(1,3-benzodioxol-5-ylamino)-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
| Molecular Formula | C21H17N3O3S |
|---|---|
| Molecular Weight | 391.10 g/mol |
| LogP | 4.91408 |
| Topological Polar Surface Area | 76.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 391.09906 |
| Heavy Atoms | 28 |
| Complexity | 1051.5029 |
Chemical Identifiers
| CAS Number | 378206-22-5 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=CSC(=N2)/C(=C/NC3=CC4=C(C=C3)OCO4)/C#N |
Product Overview
(E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(4-ethoxyphenyl)thiazol-2-yl)acrylonitrile (CAS 378206-22-5), with molecular formula C21H17N3O3S and molecular weight 391.10 g/mol. IUPAC: (E)-3-(1,3-benzodioxol-5-ylamino)-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(4-ethoxyphenyl)thiazol-2-yl)acrylonitrile
Property Insights of (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(4-ethoxyphenyl)thiazol-2-yl)acrylonitrile
The XLogP value of 4.91408 indicates that (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(4-ethoxyphenyl)thiazol-2-yl)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(4-ethoxyphenyl)thiazol-2-yl)acrylonitrile. Following Lipinski's Rule of Five, (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(4-ethoxyphenyl)thiazol-2-yl)acrylonitrile has 1 hydrogen bond donor(s) and 7 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 (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(4-ethoxyphenyl)thiazol-2-yl)acrylonitrile?
The CAS number of (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(4-ethoxyphenyl)thiazol-2-yl)acrylonitrile is 378206-22-5.
What is the molecular formula of (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(4-ethoxyphenyl)thiazol-2-yl)acrylonitrile?
The molecular formula of (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(4-ethoxyphenyl)thiazol-2-yl)acrylonitrile is C21H17N3O3S.
What is the molecular weight of (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(4-ethoxyphenyl)thiazol-2-yl)acrylonitrile?
The molecular weight of (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(4-ethoxyphenyl)thiazol-2-yl)acrylonitrile is 391.10 g/mol.
Where can I buy (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(4-ethoxyphenyl)thiazol-2-yl)acrylonitrile?
You can request a quote for (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(4-ethoxyphenyl)thiazol-2-yl)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(4-ethoxyphenyl)thiazol-2-yl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(4-ethoxyphenyl)thiazol-2-yl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.