2-Thiopheneoctanoic acid, 5-hexyl-, methyl ester
TL;DR: 2-Thiopheneoctanoic acid, 5-hexyl-, methyl ester (CAS 54233-03-3) is a chemical compound with molecular formula C19H32O2S and molecular weight 324.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 8-(5-hexylthiophen-2-yl)octanoate
Also Known As: methyl 8-(5-hexylthiophen-2-yl)octanoate, 2-Thiopheneoctanoic acid, 5-hexyl-, methyl ester, Methyl 8-(5-hexyl-2-thienyl)octanoate, Methyl-8-(2',5'-hexylthienyl)octanoat, Methyl 9,12-epithio-9,11-octadecanoate
| Molecular Formula | C19H32O2S |
|---|---|
| Molecular Weight | 324.21 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 14 |
| Exact Mass | 324.2123 |
| Heavy Atoms | 22 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 54233-03-3 |
|---|---|
| SMILES | CCCCCCC1=CC=C(S1)CCCCCCCC(=O)OC |
| InChIKey | VQKNKWUMAKMKRX-UHFFFAOYSA-N |
Product Overview
2-Thiopheneoctanoic acid, 5-hexyl-, methyl ester (CAS 54233-03-3), with molecular formula C19H32O2S and molecular weight 324.21 g/mol. IUPAC: methyl 8-(5-hexylthiophen-2-yl)octanoate.
Chemical Property Profile of 2-Thiopheneoctanoic acid, 5-hexyl-, methyl ester
Property Insights of 2-Thiopheneoctanoic acid, 5-hexyl-, methyl ester
The XLogP value of 6.9 indicates that 2-Thiopheneoctanoic acid, 5-hexyl-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.5 Ų, 2-Thiopheneoctanoic acid, 5-hexyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Thiopheneoctanoic acid, 5-hexyl-, methyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Thiopheneoctanoic acid, 5-hexyl-, methyl ester?
The CAS number of 2-Thiopheneoctanoic acid, 5-hexyl-, methyl ester is 54233-03-3.
What is the molecular formula of 2-Thiopheneoctanoic acid, 5-hexyl-, methyl ester?
The molecular formula of 2-Thiopheneoctanoic acid, 5-hexyl-, methyl ester is C19H32O2S.
What is the molecular weight of 2-Thiopheneoctanoic acid, 5-hexyl-, methyl ester?
The molecular weight of 2-Thiopheneoctanoic acid, 5-hexyl-, methyl ester is 324.21 g/mol.
Where can I buy 2-Thiopheneoctanoic acid, 5-hexyl-, methyl ester?
You can request a quote for 2-Thiopheneoctanoic acid, 5-hexyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Thiopheneoctanoic acid, 5-hexyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Thiopheneoctanoic acid, 5-hexyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.