![(E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(benzo[d]thiazol-2-yl)acrylonitrile structure](/static/products/5777/577791-65-2.webp)
(E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(benzo[d]thiazol-2-yl)acrylonitrile
TL;DR: (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(benzo[d]thiazol-2-yl)acrylonitrile (CAS 577791-65-2) is a chemical compound with molecular formula C17H11N3O2S and molecular weight 321.06 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-(1,3-benzothiazol-2-yl)prop-2-enenitrile
Also Known As: VU0510217-1, (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(benzo[d]thiazol-2-yl)acrylonitrile, (E)-3-(1,3-benzodioxol-5-ylamino)-2-(1,3-benzothiazol-2-yl)prop-2-enenitrile, F3139-1298, (2E)-3-[(2H-1,3-benzodioxol-5-yl)amino]-2-(1,3-benzothiazol-2-yl)prop-2-enenitrile
| Molecular Formula | C17H11N3O2S |
|---|---|
| Molecular Weight | 321.06 g/mol |
| LogP | 4.00158 |
| Topological Polar Surface Area | 67.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.0572 |
| Heavy Atoms | 23 |
| Complexity | 922.872 |
Chemical Identifiers
| CAS Number | 577791-65-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)N/C=C(\C#N)/C3=NC4=CC=CC=C4S3 |
Product Overview
(E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(benzo[d]thiazol-2-yl)acrylonitrile (CAS 577791-65-2), with molecular formula C17H11N3O2S and molecular weight 321.06 g/mol. IUPAC: (E)-3-(1,3-benzodioxol-5-ylamino)-2-(1,3-benzothiazol-2-yl)prop-2-enenitrile.
Chemical Property Profile of (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(benzo[d]thiazol-2-yl)acrylonitrile
Property Insights of (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(benzo[d]thiazol-2-yl)acrylonitrile
The XLogP value of 4.00158 indicates that (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(benzo[d]thiazol-2-yl)acrylonitrile 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 (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(benzo[d]thiazol-2-yl)acrylonitrile. Following Lipinski's Rule of Five, (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(benzo[d]thiazol-2-yl)acrylonitrile 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 (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(benzo[d]thiazol-2-yl)acrylonitrile?
The CAS number of (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(benzo[d]thiazol-2-yl)acrylonitrile is 577791-65-2.
What is the molecular formula of (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(benzo[d]thiazol-2-yl)acrylonitrile?
The molecular formula of (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(benzo[d]thiazol-2-yl)acrylonitrile is C17H11N3O2S.
What is the molecular weight of (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(benzo[d]thiazol-2-yl)acrylonitrile?
The molecular weight of (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(benzo[d]thiazol-2-yl)acrylonitrile is 321.06 g/mol.
Where can I buy (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(benzo[d]thiazol-2-yl)acrylonitrile?
You can request a quote for (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(benzo[d]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-(benzo[d]thiazol-2-yl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(benzo[d]thiazol-2-yl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.