![(Z)-1-(1,3-benzodioxol-5-yl)-3-[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]-2-propen-1-one structure](/static/products/866/866040-83-7.png)
(Z)-1-(1,3-benzodioxol-5-yl)-3-[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]-2-propen-1-one
TL;DR: (Z)-1-(1,3-benzodioxol-5-yl)-3-[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]-2-propen-1-one (CAS 866040-83-7) is a chemical compound with molecular formula C17H12N2O3S and molecular weight 324.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-3-[1-(1,3-thiazol-2-yl)pyrrol-2-yl]prop-2-en-1-one
Also Known As: (Z)-1-(1,3-benzodioxol-5-yl)-3-[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]-2-propen-1-one, 1-(1,3-benzodioxol-5-yl)-3-[1-(1,3-thiazol-2-yl)pyrrol-2-yl]prop-2-en-1-one, 1-(2H-1,3-benzodioxol-5-yl)-3-[1-(1,3-thiazol-2-yl)pyrrol-2-yl]prop-2-en-1-one, 1-benzo[1,3]dioxol-5-yl-3-[1-(1,3-thiazol-2-yl)pyrrol-2-yl]prop-2-en-1-one
| Molecular Formula | C17H12N2O3S |
|---|---|
| Molecular Weight | 324.06 g/mol |
| LogP | 3.5586 |
| Topological Polar Surface Area | 53.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.05685 |
| Heavy Atoms | 23 |
| Complexity | 881.1429 |
Chemical Identifiers
| CAS Number | 866040-83-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)C=CC3=CC=CN3C4=NC=CS4 |
Product Overview
(Z)-1-(1,3-benzodioxol-5-yl)-3-[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]-2-propen-1-one (CAS 866040-83-7), with molecular formula C17H12N2O3S and molecular weight 324.06 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-3-[1-(1,3-thiazol-2-yl)pyrrol-2-yl]prop-2-en-1-one.
Chemical Property Profile of (Z)-1-(1,3-benzodioxol-5-yl)-3-[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]-2-propen-1-one
Property Insights of (Z)-1-(1,3-benzodioxol-5-yl)-3-[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]-2-propen-1-one
The XLogP value of 3.5586 indicates that (Z)-1-(1,3-benzodioxol-5-yl)-3-[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]-2-propen-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.35 Ų, (Z)-1-(1,3-benzodioxol-5-yl)-3-[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]-2-propen-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-1-(1,3-benzodioxol-5-yl)-3-[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]-2-propen-1-one has 0 hydrogen bond donor(s) and 5 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 (Z)-1-(1,3-benzodioxol-5-yl)-3-[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]-2-propen-1-one?
The CAS number of (Z)-1-(1,3-benzodioxol-5-yl)-3-[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]-2-propen-1-one is 866040-83-7.
What is the molecular formula of (Z)-1-(1,3-benzodioxol-5-yl)-3-[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]-2-propen-1-one?
The molecular formula of (Z)-1-(1,3-benzodioxol-5-yl)-3-[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]-2-propen-1-one is C17H12N2O3S.
What is the molecular weight of (Z)-1-(1,3-benzodioxol-5-yl)-3-[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]-2-propen-1-one?
The molecular weight of (Z)-1-(1,3-benzodioxol-5-yl)-3-[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]-2-propen-1-one is 324.06 g/mol.
Where can I buy (Z)-1-(1,3-benzodioxol-5-yl)-3-[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]-2-propen-1-one?
You can request a quote for (Z)-1-(1,3-benzodioxol-5-yl)-3-[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]-2-propen-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-1-(1,3-benzodioxol-5-yl)-3-[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]-2-propen-1-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-1-(1,3-benzodioxol-5-yl)-3-[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]-2-propen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.