(E)-3-(1,3-benzodioxol-5-yl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-propen-1-one
TL;DR: (E)-3-(1,3-benzodioxol-5-yl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-propen-1-one (CAS 478079-14-0) is a chemical compound with molecular formula C20H15NO3S and molecular weight 349.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one
Also Known As: (E)-3-(1,3-benzodioxol-5-yl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-propen-1-one, 3-(1,3-benzodioxol-5-yl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one, 3-(1,3-Benzodioxol-5-yl)-1-(4-methyl-2-phenyl-5-thiazolyl)-2-propen-1-one, 3-(2H-1,3-Benzodioxol-5-yl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one, 3-benzo[1,3]dioxol-5-yl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one
| Molecular Formula | C20H15NO3S |
|---|---|
| Molecular Weight | 349.08 g/mol |
| LogP | 4.74332 |
| Topological Polar Surface Area | 48.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.07727 |
| Heavy Atoms | 25 |
| Complexity | 960.3275 |
Chemical Identifiers
| CAS Number | 478079-14-0 |
|---|---|
| SMILES | CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)C=CC3=CC4=C(C=C3)OCO4 |
Product Overview
(E)-3-(1,3-benzodioxol-5-yl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-propen-1-one (CAS 478079-14-0), with molecular formula C20H15NO3S and molecular weight 349.08 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one.
Chemical Property Profile of (E)-3-(1,3-benzodioxol-5-yl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-propen-1-one
Property Insights of (E)-3-(1,3-benzodioxol-5-yl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-propen-1-one
The XLogP value of 4.74332 indicates that (E)-3-(1,3-benzodioxol-5-yl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-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 48.42 Ų, (E)-3-(1,3-benzodioxol-5-yl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-propen-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-(1,3-benzodioxol-5-yl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-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 (E)-3-(1,3-benzodioxol-5-yl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-propen-1-one?
The CAS number of (E)-3-(1,3-benzodioxol-5-yl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-propen-1-one is 478079-14-0.
What is the molecular formula of (E)-3-(1,3-benzodioxol-5-yl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-propen-1-one?
The molecular formula of (E)-3-(1,3-benzodioxol-5-yl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-propen-1-one is C20H15NO3S.
What is the molecular weight of (E)-3-(1,3-benzodioxol-5-yl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-propen-1-one?
The molecular weight of (E)-3-(1,3-benzodioxol-5-yl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-propen-1-one is 349.08 g/mol.
Where can I buy (E)-3-(1,3-benzodioxol-5-yl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-propen-1-one?
You can request a quote for (E)-3-(1,3-benzodioxol-5-yl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-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 (E)-3-(1,3-benzodioxol-5-yl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-propen-1-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(1,3-benzodioxol-5-yl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-propen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.