(2E)-3-(4-methylphenyl)-1-(thiophen-2-yl)prop-2-en-1-one
TL;DR: (2E)-3-(4-methylphenyl)-1-(thiophen-2-yl)prop-2-en-1-one (CAS 79442-34-5) is a chemical compound with molecular formula C14H12OS and molecular weight 228.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-methylphenyl)-1-thiophen-2-ylprop-2-en-1-one
Also Known As: (2E)-3-(4-methylphenyl)-1-(thiophen-2-yl)prop-2-en-1-one, 3-(4-methylphenyl)-1-(thiophen-2-yl)prop-2-en-1-one, 2-[3-(4-Methylphenyl)acryloyl]thiophene, J2.092.994D, J2.375.320K
| Molecular Formula | C14H12OS |
|---|---|
| Molecular Weight | 228.06 g/mol |
| LogP | 3.95262 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.06088 |
| Heavy Atoms | 16 |
| Complexity | 492.04144 |
Chemical Identifiers
| CAS Number | 79442-34-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C=C/C(=O)C2=CC=CS2 |
Product Overview
(2E)-3-(4-methylphenyl)-1-(thiophen-2-yl)prop-2-en-1-one (CAS 79442-34-5), with molecular formula C14H12OS and molecular weight 228.06 g/mol. IUPAC: (E)-3-(4-methylphenyl)-1-thiophen-2-ylprop-2-en-1-one.
Chemical Property Profile of (2E)-3-(4-methylphenyl)-1-(thiophen-2-yl)prop-2-en-1-one
Property Insights of (2E)-3-(4-methylphenyl)-1-(thiophen-2-yl)prop-2-en-1-one
The XLogP value of 3.95262 indicates that (2E)-3-(4-methylphenyl)-1-(thiophen-2-yl)prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, (2E)-3-(4-methylphenyl)-1-(thiophen-2-yl)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-3-(4-methylphenyl)-1-(thiophen-2-yl)prop-2-en-1-one has 0 hydrogen bond donor(s) and 2 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 (2E)-3-(4-methylphenyl)-1-(thiophen-2-yl)prop-2-en-1-one?
The CAS number of (2E)-3-(4-methylphenyl)-1-(thiophen-2-yl)prop-2-en-1-one is 79442-34-5.
What is the molecular formula of (2E)-3-(4-methylphenyl)-1-(thiophen-2-yl)prop-2-en-1-one?
The molecular formula of (2E)-3-(4-methylphenyl)-1-(thiophen-2-yl)prop-2-en-1-one is C14H12OS.
What is the molecular weight of (2E)-3-(4-methylphenyl)-1-(thiophen-2-yl)prop-2-en-1-one?
The molecular weight of (2E)-3-(4-methylphenyl)-1-(thiophen-2-yl)prop-2-en-1-one is 228.06 g/mol.
Where can I buy (2E)-3-(4-methylphenyl)-1-(thiophen-2-yl)prop-2-en-1-one?
You can request a quote for (2E)-3-(4-methylphenyl)-1-(thiophen-2-yl)prop-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-(4-methylphenyl)-1-(thiophen-2-yl)prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(4-methylphenyl)-1-(thiophen-2-yl)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.