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Ethyl 1-cyano-2-methylpyrrolo[2,1-a]isoquinoline-3-carboxylate
TL;DR: Ethyl 1-cyano-2-methylpyrrolo[2,1-a]isoquinoline-3-carboxylate (CAS 618070-05-6) is a chemical compound with molecular formula C17H14N2O2 and molecular weight 278.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-cyano-2-methylpyrrolo[2,1-a]isoquinoline-3-carboxylate
Also Known As: ethyl 1-cyano-2-methylpyrrolo[2,1-a]isoquinoline-3-carboxylate, AQ-407/42033864, ethyl 1-cyano-2-methylpyrrolo(2,1-a)isoquinoline-3-carboxylate
| Molecular Formula | C17H14N2O2 |
|---|---|
| Molecular Weight | 278.11 g/mol |
| LogP | 3.4493 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.10553 |
| Heavy Atoms | 21 |
| Complexity | 900.4206 |
Chemical Identifiers
| CAS Number | 618070-05-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C2N1C=CC3=CC=CC=C32)C#N)C |
Product Overview
Ethyl 1-cyano-2-methylpyrrolo[2,1-a]isoquinoline-3-carboxylate (CAS 618070-05-6), with molecular formula C17H14N2O2 and molecular weight 278.11 g/mol. IUPAC: ethyl 1-cyano-2-methylpyrrolo[2,1-a]isoquinoline-3-carboxylate.
Chemical Property Profile of Ethyl 1-cyano-2-methylpyrrolo[2,1-a]isoquinoline-3-carboxylate
Property Insights of Ethyl 1-cyano-2-methylpyrrolo[2,1-a]isoquinoline-3-carboxylate
The XLogP value of 3.4493 indicates that Ethyl 1-cyano-2-methylpyrrolo[2,1-a]isoquinoline-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.5 Ų, Ethyl 1-cyano-2-methylpyrrolo[2,1-a]isoquinoline-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-cyano-2-methylpyrrolo[2,1-a]isoquinoline-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 1-cyano-2-methylpyrrolo[2,1-a]isoquinoline-3-carboxylate?
The CAS number of Ethyl 1-cyano-2-methylpyrrolo[2,1-a]isoquinoline-3-carboxylate is 618070-05-6.
What is the molecular formula of Ethyl 1-cyano-2-methylpyrrolo[2,1-a]isoquinoline-3-carboxylate?
The molecular formula of Ethyl 1-cyano-2-methylpyrrolo[2,1-a]isoquinoline-3-carboxylate is C17H14N2O2.
What is the molecular weight of Ethyl 1-cyano-2-methylpyrrolo[2,1-a]isoquinoline-3-carboxylate?
The molecular weight of Ethyl 1-cyano-2-methylpyrrolo[2,1-a]isoquinoline-3-carboxylate is 278.11 g/mol.
Where can I buy Ethyl 1-cyano-2-methylpyrrolo[2,1-a]isoquinoline-3-carboxylate?
You can request a quote for Ethyl 1-cyano-2-methylpyrrolo[2,1-a]isoquinoline-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 1-cyano-2-methylpyrrolo[2,1-a]isoquinoline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-cyano-2-methylpyrrolo[2,1-a]isoquinoline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.