Heptyl 2-thiophenecarboxylate
TL;DR: Heptyl 2-thiophenecarboxylate (CAS 7152-58-1) is a chemical compound with molecular formula C12H18O2S and molecular weight 226.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptyl thiophene-2-carboxylate
Also Known As: Heptyl 2-thiophenecarboxylate, heptyl thiophene-2-carboxylate, Heptyl 2-thiophenecarboxylate #, 2-Thiophenecarboxylic acid, heptyl ester, Thiophene-2-carboxylic acid heptyl ester
| Molecular Formula | C12H18O2S |
|---|---|
| Molecular Weight | 226.10 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 226.10275 |
| Heavy Atoms | 15 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 7152-58-1 |
|---|---|
| SMILES | CCCCCCCOC(=O)C1=CC=CS1 |
| InChIKey | GHJPQRYSNYFFLJ-UHFFFAOYSA-N |
Product Overview
Heptyl 2-thiophenecarboxylate (CAS 7152-58-1), with molecular formula C12H18O2S and molecular weight 226.10 g/mol. IUPAC: heptyl thiophene-2-carboxylate.
Chemical Property Profile of Heptyl 2-thiophenecarboxylate
Property Insights of Heptyl 2-thiophenecarboxylate
The XLogP value of 4.8 indicates that Heptyl 2-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.5 Ų, Heptyl 2-thiophenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptyl 2-thiophenecarboxylate has 0 hydrogen bond donor(s) and 3 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 Heptyl 2-thiophenecarboxylate?
The CAS number of Heptyl 2-thiophenecarboxylate is 7152-58-1.
What is the molecular formula of Heptyl 2-thiophenecarboxylate?
The molecular formula of Heptyl 2-thiophenecarboxylate is C12H18O2S.
What is the molecular weight of Heptyl 2-thiophenecarboxylate?
The molecular weight of Heptyl 2-thiophenecarboxylate is 226.10 g/mol.
Where can I buy Heptyl 2-thiophenecarboxylate?
You can request a quote for Heptyl 2-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptyl 2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Heptyl 2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.