2-Thiophenecarboxylic acid, dodecyl ester
TL;DR: 2-Thiophenecarboxylic acid, dodecyl ester (CAS 93541-40-3) is a chemical compound with molecular formula C17H28O2S and molecular weight 296.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dodecyl thiophene-2-carboxylate
Also Known As: Dodecyl 2-thiophenecarboxylate, dodecyl thiophene-2-carboxylate, Dodecyl 2-thiophenecarboxylate #, 2-Thiophenecarboxylic acid, dodecyl ester, thiophene-2-carboxylic acid dodecyl ester
| Molecular Formula | C17H28O2S |
|---|---|
| Molecular Weight | 296.18 g/mol |
| LogP | 7.5 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 13 |
| Exact Mass | 296.181 |
| Heavy Atoms | 20 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 93541-40-3 |
|---|---|
| SMILES | CCCCCCCCCCCCOC(=O)C1=CC=CS1 |
| InChIKey | PYZDYCGDZMYSJQ-UHFFFAOYSA-N |
Product Overview
2-Thiophenecarboxylic acid, dodecyl ester (CAS 93541-40-3), with molecular formula C17H28O2S and molecular weight 296.18 g/mol. IUPAC: dodecyl thiophene-2-carboxylate.
Chemical Property Profile of 2-Thiophenecarboxylic acid, dodecyl ester
Property Insights of 2-Thiophenecarboxylic acid, dodecyl ester
The XLogP value of 7.5 indicates that 2-Thiophenecarboxylic acid, dodecyl 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-Thiophenecarboxylic acid, dodecyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Thiophenecarboxylic acid, dodecyl 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-Thiophenecarboxylic acid, dodecyl ester?
The CAS number of 2-Thiophenecarboxylic acid, dodecyl ester is 93541-40-3.
What is the molecular formula of 2-Thiophenecarboxylic acid, dodecyl ester?
The molecular formula of 2-Thiophenecarboxylic acid, dodecyl ester is C17H28O2S.
What is the molecular weight of 2-Thiophenecarboxylic acid, dodecyl ester?
The molecular weight of 2-Thiophenecarboxylic acid, dodecyl ester is 296.18 g/mol.
Where can I buy 2-Thiophenecarboxylic acid, dodecyl ester?
You can request a quote for 2-Thiophenecarboxylic acid, dodecyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Thiophenecarboxylic acid, dodecyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Thiophenecarboxylic acid, dodecyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.