![ethyl 1-amino-5-isobutyl-7,8-dihydro-6H-cyclopenta[d]thieno[2,3-b]pyridine-2-carboxylate structure](/static/products/799/799801-52-8.png)
ethyl 1-amino-5-isobutyl-7,8-dihydro-6H-cyclopenta[d]thieno[2,3-b]pyridine-2-carboxylate
TL;DR: ethyl 1-amino-5-isobutyl-7,8-dihydro-6H-cyclopenta[d]thieno[2,3-b]pyridine-2-carboxylate (CAS 799801-52-8) is a chemical compound with molecular formula C17H22N2O2S and molecular weight 318.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-amino-8-(2-methylpropyl)-5-thia-7-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7-tetraene-4-carboxylate
Also Known As: ethyl 1-amino-5-isobutyl-7,8-dihydro-6H-cyclopenta[d]thieno[2,3-b]pyridine-2-carboxylate, 1-Amino-5-isobutyl-7,8-dihydro-6H-cyclopenta[d]thieno[2,3-b]pyridine-2-carboxylic acid ethyl ester, ethyl 1-amino-5-(2-methylpropyl)-7,8-dihydro-6H-cyclopenta[d]thieno[2,3-b]pyridine-2-carboxylate
| Molecular Formula | C17H22N2O2S |
|---|---|
| Molecular Weight | 318.14 g/mol |
| LogP | 3.7424 |
| Topological Polar Surface Area | 65.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.1402 |
| Heavy Atoms | 22 |
| Complexity | 734.0695 |
Chemical Identifiers
| CAS Number | 799801-52-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(S1)N=C(C3=C2CCC3)CC(C)C)N |
Product Overview
ethyl 1-amino-5-isobutyl-7,8-dihydro-6H-cyclopenta[d]thieno[2,3-b]pyridine-2-carboxylate (CAS 799801-52-8), with molecular formula C17H22N2O2S and molecular weight 318.14 g/mol. IUPAC: ethyl 3-amino-8-(2-methylpropyl)-5-thia-7-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7-tetraene-4-carboxylate.
Chemical Property Profile of ethyl 1-amino-5-isobutyl-7,8-dihydro-6H-cyclopenta[d]thieno[2,3-b]pyridine-2-carboxylate
Property Insights of ethyl 1-amino-5-isobutyl-7,8-dihydro-6H-cyclopenta[d]thieno[2,3-b]pyridine-2-carboxylate
The XLogP value of 3.7424 indicates that ethyl 1-amino-5-isobutyl-7,8-dihydro-6H-cyclopenta[d]thieno[2,3-b]pyridine-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.21 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 1-amino-5-isobutyl-7,8-dihydro-6H-cyclopenta[d]thieno[2,3-b]pyridine-2-carboxylate. Following Lipinski's Rule of Five, ethyl 1-amino-5-isobutyl-7,8-dihydro-6H-cyclopenta[d]thieno[2,3-b]pyridine-2-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 1-amino-5-isobutyl-7,8-dihydro-6H-cyclopenta[d]thieno[2,3-b]pyridine-2-carboxylate?
The CAS number of ethyl 1-amino-5-isobutyl-7,8-dihydro-6H-cyclopenta[d]thieno[2,3-b]pyridine-2-carboxylate is 799801-52-8.
What is the molecular formula of ethyl 1-amino-5-isobutyl-7,8-dihydro-6H-cyclopenta[d]thieno[2,3-b]pyridine-2-carboxylate?
The molecular formula of ethyl 1-amino-5-isobutyl-7,8-dihydro-6H-cyclopenta[d]thieno[2,3-b]pyridine-2-carboxylate is C17H22N2O2S.
What is the molecular weight of ethyl 1-amino-5-isobutyl-7,8-dihydro-6H-cyclopenta[d]thieno[2,3-b]pyridine-2-carboxylate?
The molecular weight of ethyl 1-amino-5-isobutyl-7,8-dihydro-6H-cyclopenta[d]thieno[2,3-b]pyridine-2-carboxylate is 318.14 g/mol.
Where can I buy ethyl 1-amino-5-isobutyl-7,8-dihydro-6H-cyclopenta[d]thieno[2,3-b]pyridine-2-carboxylate?
You can request a quote for ethyl 1-amino-5-isobutyl-7,8-dihydro-6H-cyclopenta[d]thieno[2,3-b]pyridine-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 1-amino-5-isobutyl-7,8-dihydro-6H-cyclopenta[d]thieno[2,3-b]pyridine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 1-amino-5-isobutyl-7,8-dihydro-6H-cyclopenta[d]thieno[2,3-b]pyridine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.