2-Thiophenecarboxylic acid, 4-(2,2-dimethylpropyl)phenyl ester
TL;DR: 2-Thiophenecarboxylic acid, 4-(2,2-dimethylpropyl)phenyl ester (CAS 40790-75-8) is a chemical compound with molecular formula C16H18O2S and molecular weight 274.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2,2-dimethylpropyl)phenyl] thiophene-2-carboxylate
Also Known As: alpha-Thenoate tert-amylphenol, alpha-Thenoate tert-amylphenol [French], 2-Thiophenecarboxylic acid, 4-(2,2-dimethylpropyl)phenyl ester, 4-(2,2-Dimethylpropyl)phenyl 2-thiophenecarboxylate, 4-(2,2-dimethylpropyl)phenyl thiophene-2-carboxylate
| Molecular Formula | C16H18O2S |
|---|---|
| Molecular Weight | 274.10 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 274.10275 |
| Heavy Atoms | 19 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 40790-75-8 |
|---|---|
| SMILES | CC(C)(C)CC1=CC=C(C=C1)OC(=O)C2=CC=CS2 |
| InChIKey | UXMAVLSBKNCNBU-UHFFFAOYSA-N |
Product Overview
2-Thiophenecarboxylic acid, 4-(2,2-dimethylpropyl)phenyl ester (CAS 40790-75-8), with molecular formula C16H18O2S and molecular weight 274.10 g/mol. IUPAC: [4-(2,2-dimethylpropyl)phenyl] thiophene-2-carboxylate.
Chemical Property Profile of 2-Thiophenecarboxylic acid, 4-(2,2-dimethylpropyl)phenyl ester
Property Insights of 2-Thiophenecarboxylic acid, 4-(2,2-dimethylpropyl)phenyl ester
The XLogP value of 5.3 indicates that 2-Thiophenecarboxylic acid, 4-(2,2-dimethylpropyl)phenyl 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, 4-(2,2-dimethylpropyl)phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Thiophenecarboxylic acid, 4-(2,2-dimethylpropyl)phenyl 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, 4-(2,2-dimethylpropyl)phenyl ester?
The CAS number of 2-Thiophenecarboxylic acid, 4-(2,2-dimethylpropyl)phenyl ester is 40790-75-8.
What is the molecular formula of 2-Thiophenecarboxylic acid, 4-(2,2-dimethylpropyl)phenyl ester?
The molecular formula of 2-Thiophenecarboxylic acid, 4-(2,2-dimethylpropyl)phenyl ester is C16H18O2S.
What is the molecular weight of 2-Thiophenecarboxylic acid, 4-(2,2-dimethylpropyl)phenyl ester?
The molecular weight of 2-Thiophenecarboxylic acid, 4-(2,2-dimethylpropyl)phenyl ester is 274.10 g/mol.
Where can I buy 2-Thiophenecarboxylic acid, 4-(2,2-dimethylpropyl)phenyl ester?
You can request a quote for 2-Thiophenecarboxylic acid, 4-(2,2-dimethylpropyl)phenyl 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, 4-(2,2-dimethylpropyl)phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Thiophenecarboxylic acid, 4-(2,2-dimethylpropyl)phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.