![ethyl 2,5,6-trimethyl-4H-thieno[3,2-b]pyrrole-3-carboxylate structure](/static/products/5780/57805-63-7.webp)
ethyl 2,5,6-trimethyl-4H-thieno[3,2-b]pyrrole-3-carboxylate
TL;DR: ethyl 2,5,6-trimethyl-4H-thieno[3,2-b]pyrrole-3-carboxylate (CAS 57805-63-7) is a chemical compound with molecular formula C12H15NO2S and molecular weight 237.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,5,6-trimethyl-4H-thieno[3,2-b]pyrrole-3-carboxylate
Also Known As: TimTec1_003620, ethyl 2,5,6-trimethyl-4H-thieno[3,2-b]pyrrole-3-carboxylate, BAS 00600298, BRD-K44757621-001-01-5, A1753/0074438
| Molecular Formula | C12H15NO2S |
|---|---|
| Molecular Weight | 237.08 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 70.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.08235 |
| Heavy Atoms | 16 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 57805-63-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1NC(=C2C)C)C |
| InChIKey | ORCJMOFNEACBFX-UHFFFAOYSA-N |
Product Overview
ethyl 2,5,6-trimethyl-4H-thieno[3,2-b]pyrrole-3-carboxylate (CAS 57805-63-7), with molecular formula C12H15NO2S and molecular weight 237.08 g/mol. IUPAC: ethyl 2,5,6-trimethyl-4H-thieno[3,2-b]pyrrole-3-carboxylate.
Chemical Property Profile of ethyl 2,5,6-trimethyl-4H-thieno[3,2-b]pyrrole-3-carboxylate
Property Insights of ethyl 2,5,6-trimethyl-4H-thieno[3,2-b]pyrrole-3-carboxylate
The XLogP value of 3.2 indicates that ethyl 2,5,6-trimethyl-4H-thieno[3,2-b]pyrrole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.3 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2,5,6-trimethyl-4H-thieno[3,2-b]pyrrole-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2,5,6-trimethyl-4H-thieno[3,2-b]pyrrole-3-carboxylate has 1 hydrogen bond donor(s) and 3 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 ethyl 2,5,6-trimethyl-4H-thieno[3,2-b]pyrrole-3-carboxylate?
The CAS number of ethyl 2,5,6-trimethyl-4H-thieno[3,2-b]pyrrole-3-carboxylate is 57805-63-7.
What is the molecular formula of ethyl 2,5,6-trimethyl-4H-thieno[3,2-b]pyrrole-3-carboxylate?
The molecular formula of ethyl 2,5,6-trimethyl-4H-thieno[3,2-b]pyrrole-3-carboxylate is C12H15NO2S.
What is the molecular weight of ethyl 2,5,6-trimethyl-4H-thieno[3,2-b]pyrrole-3-carboxylate?
The molecular weight of ethyl 2,5,6-trimethyl-4H-thieno[3,2-b]pyrrole-3-carboxylate is 237.08 g/mol.
Where can I buy ethyl 2,5,6-trimethyl-4H-thieno[3,2-b]pyrrole-3-carboxylate?
You can request a quote for ethyl 2,5,6-trimethyl-4H-thieno[3,2-b]pyrrole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2,5,6-trimethyl-4H-thieno[3,2-b]pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2,5,6-trimethyl-4H-thieno[3,2-b]pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.