![ethyl 3-amino-2-phenyl-1-thioxo-2,5,6,7-tetrahydro-1H-cyclopenta[c]pyridine-4-carboxylate structure](/static/products/288/28870-33-9.png)
ethyl 3-amino-2-phenyl-1-thioxo-2,5,6,7-tetrahydro-1H-cyclopenta[c]pyridine-4-carboxylate
TL;DR: ethyl 3-amino-2-phenyl-1-thioxo-2,5,6,7-tetrahydro-1H-cyclopenta[c]pyridine-4-carboxylate (CAS 28870-33-9) is a chemical compound with molecular formula C17H18N2O2S and molecular weight 314.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-amino-2-phenyl-1-sulfanylidene-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxylate
Also Known As: ethyl 3-amino-2-phenyl-1-thioxo-2,5,6,7-tetrahydro-1H-cyclopenta[c]pyridine-4-carboxylate, ethyl 3-amino-2-phenyl-1-sulfanylidene-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxylate, ethyl 3-amino-2-phenyl-1-thioxo-2,5,6,7-tetrahydrocyclopenta[2,1-d]pyridine-4- carboxylate
| Molecular Formula | C17H18N2O2S |
|---|---|
| Molecular Weight | 314.11 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 87.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.1089 |
| Heavy Atoms | 22 |
| Complexity | 559.0 |
Chemical Identifiers
| CAS Number | 28870-33-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=S)C2=C1CCC2)C3=CC=CC=C3)N |
| InChIKey | MKORWELFCGDNJD-UHFFFAOYSA-N |
Product Overview
ethyl 3-amino-2-phenyl-1-thioxo-2,5,6,7-tetrahydro-1H-cyclopenta[c]pyridine-4-carboxylate (CAS 28870-33-9), with molecular formula C17H18N2O2S and molecular weight 314.11 g/mol. IUPAC: ethyl 3-amino-2-phenyl-1-sulfanylidene-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxylate.
Chemical Property Profile of ethyl 3-amino-2-phenyl-1-thioxo-2,5,6,7-tetrahydro-1H-cyclopenta[c]pyridine-4-carboxylate
Property Insights of ethyl 3-amino-2-phenyl-1-thioxo-2,5,6,7-tetrahydro-1H-cyclopenta[c]pyridine-4-carboxylate
The XLogP value of 3.0 indicates that ethyl 3-amino-2-phenyl-1-thioxo-2,5,6,7-tetrahydro-1H-cyclopenta[c]pyridine-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-amino-2-phenyl-1-thioxo-2,5,6,7-tetrahydro-1H-cyclopenta[c]pyridine-4-carboxylate. Following Lipinski's Rule of Five, ethyl 3-amino-2-phenyl-1-thioxo-2,5,6,7-tetrahydro-1H-cyclopenta[c]pyridine-4-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-2-phenyl-1-thioxo-2,5,6,7-tetrahydro-1H-cyclopenta[c]pyridine-4-carboxylate?
The CAS number of ethyl 3-amino-2-phenyl-1-thioxo-2,5,6,7-tetrahydro-1H-cyclopenta[c]pyridine-4-carboxylate is 28870-33-9.
What is the molecular formula of ethyl 3-amino-2-phenyl-1-thioxo-2,5,6,7-tetrahydro-1H-cyclopenta[c]pyridine-4-carboxylate?
The molecular formula of ethyl 3-amino-2-phenyl-1-thioxo-2,5,6,7-tetrahydro-1H-cyclopenta[c]pyridine-4-carboxylate is C17H18N2O2S.
What is the molecular weight of ethyl 3-amino-2-phenyl-1-thioxo-2,5,6,7-tetrahydro-1H-cyclopenta[c]pyridine-4-carboxylate?
The molecular weight of ethyl 3-amino-2-phenyl-1-thioxo-2,5,6,7-tetrahydro-1H-cyclopenta[c]pyridine-4-carboxylate is 314.11 g/mol.
Where can I buy ethyl 3-amino-2-phenyl-1-thioxo-2,5,6,7-tetrahydro-1H-cyclopenta[c]pyridine-4-carboxylate?
You can request a quote for ethyl 3-amino-2-phenyl-1-thioxo-2,5,6,7-tetrahydro-1H-cyclopenta[c]pyridine-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 3-amino-2-phenyl-1-thioxo-2,5,6,7-tetrahydro-1H-cyclopenta[c]pyridine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-amino-2-phenyl-1-thioxo-2,5,6,7-tetrahydro-1H-cyclopenta[c]pyridine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.