3-Heptylthiophene
TL;DR: 3-Heptylthiophene (CAS 65492-59-3) is a chemical compound with molecular formula C11H18S and molecular weight 182.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-heptylthiophene
Also Known As: 3-Heptylthiophene, 3-N-Heptylthiophene, Thiophene, 3-heptyl-, 2-Butylcyclopentanone, IUUMHORDQCAXQU-UHFFFAOYSA-
| Molecular Formula | C11H18S |
|---|---|
| Molecular Weight | 182.11 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 182.11292 |
| Heavy Atoms | 12 |
| Complexity | 101.0 |
Chemical Identifiers
| CAS Number | 65492-59-3 |
|---|---|
| SMILES | CCCCCCCC1=CSC=C1 |
| InChIKey | IUUMHORDQCAXQU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Heptylthiophene (CAS 65492-59-3), with molecular formula C11H18S and molecular weight 182.11 g/mol. IUPAC: 3-heptylthiophene.
Chemical Property Profile of 3-Heptylthiophene
Property Insights of 3-Heptylthiophene
The XLogP value of 5.5 indicates that 3-Heptylthiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.2 Ų, 3-Heptylthiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Heptylthiophene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Heptylthiophene?
The CAS number of 3-Heptylthiophene is 65492-59-3.
What is the molecular formula of 3-Heptylthiophene?
The molecular formula of 3-Heptylthiophene is C11H18S.
What is the molecular weight of 3-Heptylthiophene?
The molecular weight of 3-Heptylthiophene is 182.11 g/mol.
Where can I buy 3-Heptylthiophene?
You can request a quote for 3-Heptylthiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Heptylthiophene?
Yes, KEHONG BIO provides custom synthesis services for 3-Heptylthiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.