![(E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile structure](/static/products/3781/378199-27-0.webp)
(E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile
TL;DR: (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile (CAS 378199-27-0) is a chemical compound with molecular formula C22H12BrN3O4S and molecular weight 492.97 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-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile, F0760-2244, (2E)-3-[(2H-1,3-benzodioxol-5-yl)amino]-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile, (E)-3-(1,3-benzodioxol-5-ylamino)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile, (2E)-3-(1,3-benzodioxol-5-ylamino)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
| Molecular Formula | C22H12BrN3O4S |
|---|---|
| Molecular Weight | 492.97 g/mol |
| LogP | 5.38428 |
| Topological Polar Surface Area | 97.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 492.97318 |
| Heavy Atoms | 31 |
| Complexity | 1451.4061 |
Chemical Identifiers
| CAS Number | 378199-27-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)N/C=C(\C#N)/C3=NC(=CS3)C4=CC5=C(C=CC(=C5)Br)OC4=O |
Product Overview
(E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile (CAS 378199-27-0), with molecular formula C22H12BrN3O4S and molecular weight 492.97 g/mol. IUPAC: (E)-3-(1,3-benzodioxol-5-ylamino)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile
Property Insights of (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile
The XLogP value of 5.38428 indicates that (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.38 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile. Following Lipinski's Rule of Five, (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile?
The CAS number of (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile is 378199-27-0.
What is the molecular formula of (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile?
The molecular formula of (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile is C22H12BrN3O4S.
What is the molecular weight of (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile?
The molecular weight of (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile is 492.97 g/mol.
Where can I buy (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile?
You can request a quote for (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)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-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(benzo[d][1,3]dioxol-5-ylamino)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.