![(E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile structure](/static/products/3781/378199-16-7.webp)
(E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile
TL;DR: (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile (CAS 378199-16-7) 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)-3-(1,3-benzodioxol-5-ylamino)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile, F0760-2236, (2E)-3-[(2H-1,3-benzodioxol-5-yl)amino]-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile, (E)-3-(1,3-benzodioxol-5-ylamino)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile, (2E)-3-(1,3-benzodioxol-5-ylamino)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]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 | 378199-16-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=CSC(=N2)/C(=C/NC3=CC4=C(C=C3)OCO4)/C#N)OC |
Product Overview
(E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile (CAS 378199-16-7), with molecular formula C21H17N3O4S and molecular weight 407.09 g/mol. IUPAC: (E)-3-(1,3-benzodioxol-5-ylamino)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile
Property Insights of (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile
The XLogP value of 4.53258 indicates that (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile 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 (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile. Following Lipinski's Rule of Five, (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile 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 (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile?
The CAS number of (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile is 378199-16-7.
What is the molecular formula of (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile?
The molecular formula of (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile is C21H17N3O4S.
What is the molecular weight of (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile?
The molecular weight of (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile is 407.09 g/mol.
Where can I buy (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile?
You can request a quote for (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(3,4-dimethoxyphenyl)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-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.