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Ethyl 5-cyano-3,4-dimethylthieno[2,3-b]thiophene-2-carboxylate
TL;DR: Ethyl 5-cyano-3,4-dimethylthieno[2,3-b]thiophene-2-carboxylate (CAS 175202-57-0) is a chemical compound with molecular formula C12H11NO2S2 and molecular weight 265.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-3,4-dimethylthieno[2,3-b]thiophene-5-carboxylate
Also Known As: ethyl 5-cyano-3,4-dimethylthieno[2,3-b]thiophene-2-carboxylate, Maybridge1_004478, ethyl 2-cyano-3,4-dimethylthieno[2,3-b]thiophene-5-carboxylate, J1.907.330K, I14-36934
| Molecular Formula | C12H11NO2S2 |
|---|---|
| Molecular Weight | 265.02 g/mol |
| LogP | 3.62802 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.02313 |
| Heavy Atoms | 17 |
| Complexity | 630.99066 |
Chemical Identifiers
| CAS Number | 175202-57-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(S1)SC(=C2C)C#N)C |
Product Overview
Ethyl 5-cyano-3,4-dimethylthieno[2,3-b]thiophene-2-carboxylate (CAS 175202-57-0), with molecular formula C12H11NO2S2 and molecular weight 265.02 g/mol. IUPAC: ethyl 2-cyano-3,4-dimethylthieno[2,3-b]thiophene-5-carboxylate.
Chemical Property Profile of Ethyl 5-cyano-3,4-dimethylthieno[2,3-b]thiophene-2-carboxylate
Property Insights of Ethyl 5-cyano-3,4-dimethylthieno[2,3-b]thiophene-2-carboxylate
The XLogP value of 3.62802 indicates that Ethyl 5-cyano-3,4-dimethylthieno[2,3-b]thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.09 Ų, Ethyl 5-cyano-3,4-dimethylthieno[2,3-b]thiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-cyano-3,4-dimethylthieno[2,3-b]thiophene-2-carboxylate 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 Ethyl 5-cyano-3,4-dimethylthieno[2,3-b]thiophene-2-carboxylate?
The CAS number of Ethyl 5-cyano-3,4-dimethylthieno[2,3-b]thiophene-2-carboxylate is 175202-57-0.
What is the molecular formula of Ethyl 5-cyano-3,4-dimethylthieno[2,3-b]thiophene-2-carboxylate?
The molecular formula of Ethyl 5-cyano-3,4-dimethylthieno[2,3-b]thiophene-2-carboxylate is C12H11NO2S2.
What is the molecular weight of Ethyl 5-cyano-3,4-dimethylthieno[2,3-b]thiophene-2-carboxylate?
The molecular weight of Ethyl 5-cyano-3,4-dimethylthieno[2,3-b]thiophene-2-carboxylate is 265.02 g/mol.
Where can I buy Ethyl 5-cyano-3,4-dimethylthieno[2,3-b]thiophene-2-carboxylate?
You can request a quote for Ethyl 5-cyano-3,4-dimethylthieno[2,3-b]thiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-cyano-3,4-dimethylthieno[2,3-b]thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-cyano-3,4-dimethylthieno[2,3-b]thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.