2-Thiophenecarboxylic acid, 5-(1,1-dimethylethoxy)-
TL;DR: 2-Thiophenecarboxylic acid, 5-(1,1-dimethylethoxy)- (CAS 54889-42-8) is a chemical compound with molecular formula C9H12O3S and molecular weight 200.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2-methylpropan-2-yl)oxy]thiophene-2-carboxylic acid
Also Known As: 5-(tert-butoxy)thiophene-2-carboxylic acid, 5-tert-Butoxythiophene-2-carboxylic acid, 5-t-butoxythiophene-2-carboxylic acid, 5-tert-Butoxy-2-thiophenecarboxylic acid, 5-tert-Butoxy-2-thiophenecarboxylic acid #
| Molecular Formula | C9H12O3S |
|---|---|
| Molecular Weight | 200.05 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.05072 |
| Heavy Atoms | 13 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 54889-42-8 |
|---|---|
| SMILES | CC(C)(C)OC1=CC=C(S1)C(=O)O |
| InChIKey | XYDOYKYONMJEQA-UHFFFAOYSA-N |
Product Overview
2-Thiophenecarboxylic acid, 5-(1,1-dimethylethoxy)- (CAS 54889-42-8), with molecular formula C9H12O3S and molecular weight 200.05 g/mol. IUPAC: 5-[(2-methylpropan-2-yl)oxy]thiophene-2-carboxylic acid.
Chemical Property Profile of 2-Thiophenecarboxylic acid, 5-(1,1-dimethylethoxy)-
Property Insights of 2-Thiophenecarboxylic acid, 5-(1,1-dimethylethoxy)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Thiophenecarboxylic acid, 5-(1,1-dimethylethoxy)-. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Thiophenecarboxylic acid, 5-(1,1-dimethylethoxy)-. Following Lipinski's Rule of Five, 2-Thiophenecarboxylic acid, 5-(1,1-dimethylethoxy)- has 1 hydrogen bond donor(s) and 4 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, 5-(1,1-dimethylethoxy)-?
The CAS number of 2-Thiophenecarboxylic acid, 5-(1,1-dimethylethoxy)- is 54889-42-8.
What is the molecular formula of 2-Thiophenecarboxylic acid, 5-(1,1-dimethylethoxy)-?
The molecular formula of 2-Thiophenecarboxylic acid, 5-(1,1-dimethylethoxy)- is C9H12O3S.
What is the molecular weight of 2-Thiophenecarboxylic acid, 5-(1,1-dimethylethoxy)-?
The molecular weight of 2-Thiophenecarboxylic acid, 5-(1,1-dimethylethoxy)- is 200.05 g/mol.
Where can I buy 2-Thiophenecarboxylic acid, 5-(1,1-dimethylethoxy)-?
You can request a quote for 2-Thiophenecarboxylic acid, 5-(1,1-dimethylethoxy)- 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, 5-(1,1-dimethylethoxy)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Thiophenecarboxylic acid, 5-(1,1-dimethylethoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.