4-乙基苯基2-噻吩基酮
TL;DR: 4-乙基苯基2-噻吩基酮 (CAS 52779-81-4) is a chemical compound with molecular formula C13H12OS and molecular weight 216.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-乙基苯基2-噻吩基酮
(4-ethylphenyl)-thiophen-2-ylmethanone
Also Known As: decarboxysuprofen, 4-Ethylphenyl 2-thienyl ketone, Dearboxy suprofen, 2-(p-ethylbenzoyl)thiophene, p-ethylphenyl 2-thienyl ketone
| Molecular Formula | C13H12OS |
|---|---|
| Molecular Weight | 216.06 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.06088 |
| Heavy Atoms | 15 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 52779-81-4 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C(=O)C2=CC=CS2 |
| InChIKey | GODQIIKZEJTEPS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-乙基苯基2-噻吩基酮 (CAS 52779-81-4), with molecular formula C13H12OS and molecular weight 216.06 g/mol. IUPAC: (4-ethylphenyl)-thiophen-2-ylmethanone.
Chemical Property Profile of 4-乙基苯基2-噻吩基酮
Property Insights of 4-乙基苯基2-噻吩基酮
The XLogP value of 4.1 indicates that 4-乙基苯基2-噻吩基酮 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-乙基苯基2-噻吩基酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-乙基苯基2-噻吩基酮 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-乙基苯基2-噻吩基酮?
The CAS number of 4-乙基苯基2-噻吩基酮 is 52779-81-4.
What is the molecular formula of 4-乙基苯基2-噻吩基酮?
The molecular formula of 4-乙基苯基2-噻吩基酮 is C13H12OS.
What is the molecular weight of 4-乙基苯基2-噻吩基酮?
The molecular weight of 4-乙基苯基2-噻吩基酮 is 216.06 g/mol.
Where can I buy 4-乙基苯基2-噻吩基酮?
You can request a quote for 4-乙基苯基2-噻吩基酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-乙基苯基2-噻吩基酮?
Yes, KEHONG BIO provides custom synthesis services for 4-乙基苯基2-噻吩基酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.