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Ethyl 3-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylate
TL;DR: Ethyl 3-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylate (CAS 312697-17-9) is a chemical compound with molecular formula C11H15NO2S and molecular weight 225.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-amino-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
Also Known As: Ethyl 3-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylate, ethyl 3-amino-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate, J2.835.710I, 3-Amino-4,5,6,7-tetrahydro-benzo[b]thiophene-2-carboxylic acid ethyl ester, Ethyl3-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylate
| Molecular Formula | C11H15NO2S |
|---|---|
| Molecular Weight | 225.08 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 80.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.08235 |
| Heavy Atoms | 15 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 312697-17-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(S1)CCCC2)N |
| InChIKey | LHYNHUFLJHBTSU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylate (CAS 312697-17-9), with molecular formula C11H15NO2S and molecular weight 225.08 g/mol. IUPAC: ethyl 3-amino-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate.
Chemical Property Profile of Ethyl 3-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylate
Property Insights of Ethyl 3-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylate
The XLogP value of 3.3 indicates that Ethyl 3-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 3-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylate 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 Ethyl 3-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylate?
The CAS number of Ethyl 3-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylate is 312697-17-9.
What is the molecular formula of Ethyl 3-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylate?
The molecular formula of Ethyl 3-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylate is C11H15NO2S.
What is the molecular weight of Ethyl 3-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylate?
The molecular weight of Ethyl 3-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylate is 225.08 g/mol.
Where can I buy Ethyl 3-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylate?
You can request a quote for Ethyl 3-amino-4,5,6,7-tetrahydrobenzo[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 3-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.