2-Thiophenecarboxylic acid, 4,5-di-tert-butoxy-, ethyl ester
TL;DR: 2-Thiophenecarboxylic acid, 4,5-di-tert-butoxy-, ethyl ester (CAS 5556-17-2) is a chemical compound with molecular formula C15H24O4S and molecular weight 300.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,5-bis[(2-methylpropan-2-yl)oxy]thiophene-2-carboxylate
Also Known As: Ethyl 4,5-ditert-butoxy-2-thiophenecarboxylate, Ethyl 4,5-di-tert-butoxythiophene-2-carboxylate, 2-Thiophenecarboxylic acid, 4,5-di-tert-butoxy-, ethyl ester, ethyl 4,5-bis(tert-butoxy)thiophene-2-carboxylate, Ethyl 4,5-ditert-butoxy-2-thiophenecarboxylate #
| Molecular Formula | C15H24O4S |
|---|---|
| Molecular Weight | 300.14 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 73.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 300.13953 |
| Heavy Atoms | 20 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 5556-17-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(S1)OC(C)(C)C)OC(C)(C)C |
| InChIKey | WEXXLHYSWDSYAR-UHFFFAOYSA-N |
Product Overview
2-Thiophenecarboxylic acid, 4,5-di-tert-butoxy-, ethyl ester (CAS 5556-17-2), with molecular formula C15H24O4S and molecular weight 300.14 g/mol. IUPAC: ethyl 4,5-bis[(2-methylpropan-2-yl)oxy]thiophene-2-carboxylate.
Chemical Property Profile of 2-Thiophenecarboxylic acid, 4,5-di-tert-butoxy-, ethyl ester
Property Insights of 2-Thiophenecarboxylic acid, 4,5-di-tert-butoxy-, ethyl ester
The XLogP value of 4.4 indicates that 2-Thiophenecarboxylic acid, 4,5-di-tert-butoxy-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Thiophenecarboxylic acid, 4,5-di-tert-butoxy-, ethyl ester. Following Lipinski's Rule of Five, 2-Thiophenecarboxylic acid, 4,5-di-tert-butoxy-, ethyl ester has 0 hydrogen bond donor(s) and 5 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 2-Thiophenecarboxylic acid, 4,5-di-tert-butoxy-, ethyl ester?
The CAS number of 2-Thiophenecarboxylic acid, 4,5-di-tert-butoxy-, ethyl ester is 5556-17-2.
What is the molecular formula of 2-Thiophenecarboxylic acid, 4,5-di-tert-butoxy-, ethyl ester?
The molecular formula of 2-Thiophenecarboxylic acid, 4,5-di-tert-butoxy-, ethyl ester is C15H24O4S.
What is the molecular weight of 2-Thiophenecarboxylic acid, 4,5-di-tert-butoxy-, ethyl ester?
The molecular weight of 2-Thiophenecarboxylic acid, 4,5-di-tert-butoxy-, ethyl ester is 300.14 g/mol.
Where can I buy 2-Thiophenecarboxylic acid, 4,5-di-tert-butoxy-, ethyl ester?
You can request a quote for 2-Thiophenecarboxylic acid, 4,5-di-tert-butoxy-, ethyl 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, 4,5-di-tert-butoxy-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Thiophenecarboxylic acid, 4,5-di-tert-butoxy-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.