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Ethyl 6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylate
TL;DR: Ethyl 6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylate (CAS 113124-13-3) is a chemical compound with molecular formula C11H13NO2 and molecular weight 191.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylate
Also Known As: Ethyl 6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylate, 5H-1-Pyrindine-3-carboxylic acid, 6,7-dihydro-, ethyl ester, Ethyl6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylate, (5H)1-Pyrindine-3-carboxylic acid, 6,7-dihydro-, ethyl ester, Ethyl 6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylate #
| Molecular Formula | C11H13NO2 |
|---|---|
| Molecular Weight | 191.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 191.09464 |
| Heavy Atoms | 14 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 113124-13-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(CCC2)N=C1 |
| InChIKey | IJNIERJWVMIOHT-UHFFFAOYSA-N |
Product Overview
Ethyl 6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylate (CAS 113124-13-3), with molecular formula C11H13NO2 and molecular weight 191.09 g/mol. IUPAC: ethyl 6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylate.
Chemical Property Profile of Ethyl 6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylate
Property Insights of Ethyl 6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylate. With a topological polar surface area (TPSA) of 39.2 Ų, Ethyl 6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylate has 0 hydrogen bond donor(s) and 3 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 6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylate?
The CAS number of Ethyl 6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylate is 113124-13-3.
What is the molecular formula of Ethyl 6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylate?
The molecular formula of Ethyl 6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylate is C11H13NO2.
What is the molecular weight of Ethyl 6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylate?
The molecular weight of Ethyl 6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylate is 191.09 g/mol.
Where can I buy Ethyl 6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylate?
You can request a quote for Ethyl 6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.