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Ethyl 2-amino-3-cyano-4-methyl-5,6-dihydrocyclopenta[b]thiophene-4-carboxylate
TL;DR: Ethyl 2-amino-3-cyano-4-methyl-5,6-dihydrocyclopenta[b]thiophene-4-carboxylate (CAS 175599-81-2) is a chemical compound with molecular formula C12H14N2O2S and molecular weight 250.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-3-cyano-4-methyl-5,6-dihydrocyclopenta[b]thiophene-4-carboxylate
Also Known As: ethyl 2-amino-3-cyano-4-methyl-5,6-dihydrocyclopenta[b]thiophene-4-carboxylate, NCI60_025317, J1.077.319I, 4H-Cyclopenta[b]thiophene-4-carboxylic acid, 2-amino-3-cyano-5,6-dihydro-4-methyl-, ethyl ester, ethyl 2-amino-3-cyano-4-methyl-4H,5H,6H-cyclopenta[b]thiophene-4-carboxylate
| Molecular Formula | C12H14N2O2S |
|---|---|
| Molecular Weight | 250.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.0776 |
| Heavy Atoms | 17 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 175599-81-2 |
|---|---|
| SMILES | CCOC(=O)C1(CCC2=C1C(=C(S2)N)C#N)C |
| InChIKey | ITJDYMOUDAANMI-UHFFFAOYSA-N |
Product Overview
Ethyl 2-amino-3-cyano-4-methyl-5,6-dihydrocyclopenta[b]thiophene-4-carboxylate (CAS 175599-81-2), with molecular formula C12H14N2O2S and molecular weight 250.08 g/mol. IUPAC: ethyl 2-amino-3-cyano-4-methyl-5,6-dihydrocyclopenta[b]thiophene-4-carboxylate.
Chemical Property Profile of Ethyl 2-amino-3-cyano-4-methyl-5,6-dihydrocyclopenta[b]thiophene-4-carboxylate
Property Insights of Ethyl 2-amino-3-cyano-4-methyl-5,6-dihydrocyclopenta[b]thiophene-4-carboxylate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-amino-3-cyano-4-methyl-5,6-dihydrocyclopenta[b]thiophene-4-carboxylate. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-amino-3-cyano-4-methyl-5,6-dihydrocyclopenta[b]thiophene-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-amino-3-cyano-4-methyl-5,6-dihydrocyclopenta[b]thiophene-4-carboxylate has 1 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 2-amino-3-cyano-4-methyl-5,6-dihydrocyclopenta[b]thiophene-4-carboxylate?
The CAS number of Ethyl 2-amino-3-cyano-4-methyl-5,6-dihydrocyclopenta[b]thiophene-4-carboxylate is 175599-81-2.
What is the molecular formula of Ethyl 2-amino-3-cyano-4-methyl-5,6-dihydrocyclopenta[b]thiophene-4-carboxylate?
The molecular formula of Ethyl 2-amino-3-cyano-4-methyl-5,6-dihydrocyclopenta[b]thiophene-4-carboxylate is C12H14N2O2S.
What is the molecular weight of Ethyl 2-amino-3-cyano-4-methyl-5,6-dihydrocyclopenta[b]thiophene-4-carboxylate?
The molecular weight of Ethyl 2-amino-3-cyano-4-methyl-5,6-dihydrocyclopenta[b]thiophene-4-carboxylate is 250.08 g/mol.
Where can I buy Ethyl 2-amino-3-cyano-4-methyl-5,6-dihydrocyclopenta[b]thiophene-4-carboxylate?
You can request a quote for Ethyl 2-amino-3-cyano-4-methyl-5,6-dihydrocyclopenta[b]thiophene-4-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-amino-3-cyano-4-methyl-5,6-dihydrocyclopenta[b]thiophene-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-amino-3-cyano-4-methyl-5,6-dihydrocyclopenta[b]thiophene-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.