1-(Azepan-1-yl)-2-thiophen-2-ylethanone
TL;DR: 1-(Azepan-1-yl)-2-thiophen-2-ylethanone (CAS 142279-82-1) is a chemical compound with molecular formula C12H17NOS and molecular weight 223.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(azepan-1-yl)-2-thiophen-2-ylethanone
Also Known As: 1-(azepan-1-yl)-2-thiophen-2-ylethanone, 1-(azepan-1-yl)-2-thiophen-2-yl-ethanone, 1-(azepan-1-yl)-2-(thiophen-2-yl)ethanone, 1-azaperhydroepinyl-2-(2-thienyl)ethan-1-one, 1-(1-AZEPANYL)-2-(2-THIENYL)-1-ETHANONE
| Molecular Formula | C12H17NOS |
|---|---|
| Molecular Weight | 223.10 g/mol |
| LogP | 2.6932 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.10309 |
| Heavy Atoms | 15 |
| Complexity | 299.43182 |
Chemical Identifiers
| CAS Number | 142279-82-1 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)CC2=CC=CS2 |
Product Overview
1-(Azepan-1-yl)-2-thiophen-2-ylethanone (CAS 142279-82-1), with molecular formula C12H17NOS and molecular weight 223.10 g/mol. IUPAC: 1-(azepan-1-yl)-2-thiophen-2-ylethanone.
Chemical Property Profile of 1-(Azepan-1-yl)-2-thiophen-2-ylethanone
Property Insights of 1-(Azepan-1-yl)-2-thiophen-2-ylethanone
The XLogP value of 2.6932 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Azepan-1-yl)-2-thiophen-2-ylethanone. With a topological polar surface area (TPSA) of 20.31 Ų, 1-(Azepan-1-yl)-2-thiophen-2-ylethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Azepan-1-yl)-2-thiophen-2-ylethanone 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-(Azepan-1-yl)-2-thiophen-2-ylethanone?
The CAS number of 1-(Azepan-1-yl)-2-thiophen-2-ylethanone is 142279-82-1.
What is the molecular formula of 1-(Azepan-1-yl)-2-thiophen-2-ylethanone?
The molecular formula of 1-(Azepan-1-yl)-2-thiophen-2-ylethanone is C12H17NOS.
What is the molecular weight of 1-(Azepan-1-yl)-2-thiophen-2-ylethanone?
The molecular weight of 1-(Azepan-1-yl)-2-thiophen-2-ylethanone is 223.10 g/mol.
Where can I buy 1-(Azepan-1-yl)-2-thiophen-2-ylethanone?
You can request a quote for 1-(Azepan-1-yl)-2-thiophen-2-ylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Azepan-1-yl)-2-thiophen-2-ylethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(Azepan-1-yl)-2-thiophen-2-ylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.