2-(n-Heptanoyl)thiophene
TL;DR: 2-(n-Heptanoyl)thiophene (CAS 30711-40-1) is a chemical compound with molecular formula C11H16OS and molecular weight 196.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-thiophen-2-ylheptan-1-one
Also Known As: 2-(n-Heptanoyl)thiophene, 1-(thiophen-2-yl)heptan-1-one, 2-Heptanoylthiophene, 2- thiophene, 1-(2-Thienyl)-1-heptanone
| Molecular Formula | C11H16OS |
|---|---|
| Molecular Weight | 196.09 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 196.0922 |
| Heavy Atoms | 13 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 30711-40-1 |
|---|---|
| SMILES | CCCCCCC(=O)C1=CC=CS1 |
| InChIKey | BDNFJEMAAFFMFH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(n-Heptanoyl)thiophene (CAS 30711-40-1), with molecular formula C11H16OS and molecular weight 196.09 g/mol. IUPAC: 1-thiophen-2-ylheptan-1-one.
Chemical Property Profile of 2-(n-Heptanoyl)thiophene
Property Insights of 2-(n-Heptanoyl)thiophene
The XLogP value of 3.7 indicates that 2-(n-Heptanoyl)thiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.3 Ų, 2-(n-Heptanoyl)thiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(n-Heptanoyl)thiophene 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 2-(n-Heptanoyl)thiophene?
The CAS number of 2-(n-Heptanoyl)thiophene is 30711-40-1.
What is the molecular formula of 2-(n-Heptanoyl)thiophene?
The molecular formula of 2-(n-Heptanoyl)thiophene is C11H16OS.
What is the molecular weight of 2-(n-Heptanoyl)thiophene?
The molecular weight of 2-(n-Heptanoyl)thiophene is 196.09 g/mol.
Where can I buy 2-(n-Heptanoyl)thiophene?
You can request a quote for 2-(n-Heptanoyl)thiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(n-Heptanoyl)thiophene?
Yes, KEHONG BIO provides custom synthesis services for 2-(n-Heptanoyl)thiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.