1-(5-Tert-butyl-3-chlorothiophen-2-yl)ethanone
TL;DR: 1-(5-Tert-butyl-3-chlorothiophen-2-yl)ethanone (CAS 680211-01-2) is a chemical compound with molecular formula C10H13ClOS and molecular weight 216.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-tert-butyl-3-chlorothiophen-2-yl)ethanone
Also Known As: 4-Hydroxybutyric Acid Hydrazide, 1-(5-tert-butyl-3-chlorothiophen-2-yl)ethanone, 1-(5-tert-butyl-3-chlorothiophen-2-yl)ethan-1-one, 1-(3-chloro-5-tert-butyl-thiophen-2-yl)ethanone, 1-(5-(tert-Butyl)-3-chlorothiophen-2-yl)ethanone
| Molecular Formula | C10H13ClOS |
|---|---|
| Molecular Weight | 216.04 g/mol |
| LogP | 3.9016 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.03757 |
| Heavy Atoms | 13 |
| Complexity | 333.1842 |
Chemical Identifiers
| CAS Number | 680211-01-2 |
|---|---|
| SMILES | CC(=O)C1=C(C=C(S1)C(C)(C)C)Cl |
Product Overview
1-(5-Tert-butyl-3-chlorothiophen-2-yl)ethanone (CAS 680211-01-2), with molecular formula C10H13ClOS and molecular weight 216.04 g/mol. IUPAC: 1-(5-tert-butyl-3-chlorothiophen-2-yl)ethanone.
Chemical Property Profile of 1-(5-Tert-butyl-3-chlorothiophen-2-yl)ethanone
Property Insights of 1-(5-Tert-butyl-3-chlorothiophen-2-yl)ethanone
The XLogP value of 3.9016 indicates that 1-(5-Tert-butyl-3-chlorothiophen-2-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 1-(5-Tert-butyl-3-chlorothiophen-2-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(5-Tert-butyl-3-chlorothiophen-2-yl)ethanone 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 1-(5-Tert-butyl-3-chlorothiophen-2-yl)ethanone?
The CAS number of 1-(5-Tert-butyl-3-chlorothiophen-2-yl)ethanone is 680211-01-2.
What is the molecular formula of 1-(5-Tert-butyl-3-chlorothiophen-2-yl)ethanone?
The molecular formula of 1-(5-Tert-butyl-3-chlorothiophen-2-yl)ethanone is C10H13ClOS.
What is the molecular weight of 1-(5-Tert-butyl-3-chlorothiophen-2-yl)ethanone?
The molecular weight of 1-(5-Tert-butyl-3-chlorothiophen-2-yl)ethanone is 216.04 g/mol.
Where can I buy 1-(5-Tert-butyl-3-chlorothiophen-2-yl)ethanone?
You can request a quote for 1-(5-Tert-butyl-3-chlorothiophen-2-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-Tert-butyl-3-chlorothiophen-2-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Tert-butyl-3-chlorothiophen-2-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.