4-Chloro-1-(2-thienyl)butan-1-one
TL;DR: 4-Chloro-1-(2-thienyl)butan-1-one (CAS 46755-94-6) is a chemical compound with molecular formula C8H9ClOS and molecular weight 188.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-1-thiophen-2-ylbutan-1-one
Also Known As: 4-Chloro-1-(2-thienyl)butan-1-one, gamma-Chloro-2-butyrothienone, 4-chloro-1-(thiophen-2-yl)butan-1-one, 4-Chloro-2'-butyrothienone, 4-Chlorobutyrothiophene
| Molecular Formula | C8H9ClOS |
|---|---|
| Molecular Weight | 188.01 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 188.00627 |
| Heavy Atoms | 11 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 46755-94-6 |
|---|---|
| SMILES | C1=CSC(=C1)C(=O)CCCCl |
| InChIKey | NPFQPHILVMHTKP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-1-(2-thienyl)butan-1-one (CAS 46755-94-6), with molecular formula C8H9ClOS and molecular weight 188.01 g/mol. IUPAC: 4-chloro-1-thiophen-2-ylbutan-1-one.
Chemical Property Profile of 4-Chloro-1-(2-thienyl)butan-1-one
Property Insights of 4-Chloro-1-(2-thienyl)butan-1-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-1-(2-thienyl)butan-1-one. With a topological polar surface area (TPSA) of 45.3 Ų, 4-Chloro-1-(2-thienyl)butan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-1-(2-thienyl)butan-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 4-Chloro-1-(2-thienyl)butan-1-one?
The CAS number of 4-Chloro-1-(2-thienyl)butan-1-one is 46755-94-6.
What is the molecular formula of 4-Chloro-1-(2-thienyl)butan-1-one?
The molecular formula of 4-Chloro-1-(2-thienyl)butan-1-one is C8H9ClOS.
What is the molecular weight of 4-Chloro-1-(2-thienyl)butan-1-one?
The molecular weight of 4-Chloro-1-(2-thienyl)butan-1-one is 188.01 g/mol.
Where can I buy 4-Chloro-1-(2-thienyl)butan-1-one?
You can request a quote for 4-Chloro-1-(2-thienyl)butan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-1-(2-thienyl)butan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-1-(2-thienyl)butan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.