4'-Methyl-3-(2-thienyl)acrylophenone
TL;DR: 4'-Methyl-3-(2-thienyl)acrylophenone (CAS 69837-03-2) 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)-1-(4-methylphenyl)-3-thiophen-2-ylprop-2-en-1-one
Also Known As: 4'-Methyl-3-(2-thienyl)acrylophenone, 3-(2-THIENYL)-1-(P-TOLYL)-PROP-2-EN-1-ONE, 3-(Thiophen-2-yl)-1-(p-tolyl)prop-2-en-1-one, (2E)-1-(4-methylphenyl)-3-(thiophen-2-yl)prop-2-en-1-one, 1-(4-methylphenyl)-3-(2-thienyl)prop-2-en-1-one
| Molecular Formula | C14H12OS |
|---|---|
| Molecular Weight | 228.06 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.06088 |
| Heavy Atoms | 16 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 69837-03-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)/C=C/C2=CC=CS2 |
| InChIKey | OUDDTWPBSXBJOY-CMDGGOBGSA-N |
Product Overview
4'-Methyl-3-(2-thienyl)acrylophenone (CAS 69837-03-2), with molecular formula C14H12OS and molecular weight 228.06 g/mol. IUPAC: (E)-1-(4-methylphenyl)-3-thiophen-2-ylprop-2-en-1-one.
Chemical Property Profile of 4'-Methyl-3-(2-thienyl)acrylophenone
Property Insights of 4'-Methyl-3-(2-thienyl)acrylophenone
The XLogP value of 3.8 indicates that 4'-Methyl-3-(2-thienyl)acrylophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.3 Ų, 4'-Methyl-3-(2-thienyl)acrylophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-Methyl-3-(2-thienyl)acrylophenone 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 4'-Methyl-3-(2-thienyl)acrylophenone?
The CAS number of 4'-Methyl-3-(2-thienyl)acrylophenone is 69837-03-2.
What is the molecular formula of 4'-Methyl-3-(2-thienyl)acrylophenone?
The molecular formula of 4'-Methyl-3-(2-thienyl)acrylophenone is C14H12OS.
What is the molecular weight of 4'-Methyl-3-(2-thienyl)acrylophenone?
The molecular weight of 4'-Methyl-3-(2-thienyl)acrylophenone is 228.06 g/mol.
Where can I buy 4'-Methyl-3-(2-thienyl)acrylophenone?
You can request a quote for 4'-Methyl-3-(2-thienyl)acrylophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Methyl-3-(2-thienyl)acrylophenone?
Yes, KEHONG BIO provides custom synthesis services for 4'-Methyl-3-(2-thienyl)acrylophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.