![(Z)-3-(1,3-Benzodioxol-5-yl)-2-cyano-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide structure](/static/products/4542/454239-03-3.webp)
(Z)-3-(1,3-Benzodioxol-5-yl)-2-cyano-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
TL;DR: (Z)-3-(1,3-Benzodioxol-5-yl)-2-cyano-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide (CAS 454239-03-3) is a chemical compound with molecular formula C21H13Cl2N3O3S and molecular weight 457.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
Also Known As: (Z)-3-(1,3-Benzodioxol-5-yl)-2-cyano-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide, 3-(1,3-dioxaindan-5-yl)-2-cyano-N-{5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl}prop-2-enamide
| Molecular Formula | C21H13Cl2N3O3S |
|---|---|
| Molecular Weight | 457.01 g/mol |
| LogP | 5.31508 |
| Topological Polar Surface Area | 84.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 457.00546 |
| Heavy Atoms | 30 |
| Complexity | 1200.4475 |
Chemical Identifiers
| CAS Number | 454239-03-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C(/C#N)\C(=O)NC3=NC=C(S3)CC4=C(C=CC(=C4)Cl)Cl |
Product Overview
(Z)-3-(1,3-Benzodioxol-5-yl)-2-cyano-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide (CAS 454239-03-3), with molecular formula C21H13Cl2N3O3S and molecular weight 457.01 g/mol. IUPAC: (Z)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide.
Chemical Property Profile of (Z)-3-(1,3-Benzodioxol-5-yl)-2-cyano-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
Property Insights of (Z)-3-(1,3-Benzodioxol-5-yl)-2-cyano-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
The XLogP value of 5.31508 indicates that (Z)-3-(1,3-Benzodioxol-5-yl)-2-cyano-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.24 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-3-(1,3-Benzodioxol-5-yl)-2-cyano-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide. Following Lipinski's Rule of Five, (Z)-3-(1,3-Benzodioxol-5-yl)-2-cyano-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-3-(1,3-Benzodioxol-5-yl)-2-cyano-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide?
The CAS number of (Z)-3-(1,3-Benzodioxol-5-yl)-2-cyano-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide is 454239-03-3.
What is the molecular formula of (Z)-3-(1,3-Benzodioxol-5-yl)-2-cyano-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide?
The molecular formula of (Z)-3-(1,3-Benzodioxol-5-yl)-2-cyano-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide is C21H13Cl2N3O3S.
What is the molecular weight of (Z)-3-(1,3-Benzodioxol-5-yl)-2-cyano-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide?
The molecular weight of (Z)-3-(1,3-Benzodioxol-5-yl)-2-cyano-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide is 457.01 g/mol.
Where can I buy (Z)-3-(1,3-Benzodioxol-5-yl)-2-cyano-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide?
You can request a quote for (Z)-3-(1,3-Benzodioxol-5-yl)-2-cyano-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-3-(1,3-Benzodioxol-5-yl)-2-cyano-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-(1,3-Benzodioxol-5-yl)-2-cyano-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.