Ethyl 1-cyanopyrrolo(2,1-A)isoquinoline-3-carboxylate
TL;DR: Ethyl 1-cyanopyrrolo(2,1-A)isoquinoline-3-carboxylate (CAS 128353-03-7) is a chemical compound with molecular formula C16H12N2O2 and molecular weight 264.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-cyanopyrrolo[2,1-a]isoquinoline-3-carboxylate
Also Known As: ethyl 1-cyanopyrrolo[2,1-a]isoquinoline-3-carboxylate, ethyl 1-cyanopyrrolo(2,1-a)isoquinoline-3-carboxylate, 1-Cyanopyrrolo[2,1-a]isoquinoline-3-carboxylic acid ethyl ester, 632-750-5, RefChem:593315
| Molecular Formula | C16H12N2O2 |
|---|---|
| Molecular Weight | 264.09 g/mol |
| LogP | 3.14088 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.08987 |
| Heavy Atoms | 20 |
| Complexity | 855.9062 |
Chemical Identifiers
| CAS Number | 128353-03-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C2N1C=CC3=CC=CC=C32)C#N |
Product Overview
Ethyl 1-cyanopyrrolo(2,1-A)isoquinoline-3-carboxylate (CAS 128353-03-7), with molecular formula C16H12N2O2 and molecular weight 264.09 g/mol. IUPAC: ethyl 1-cyanopyrrolo[2,1-a]isoquinoline-3-carboxylate.
Chemical Property Profile of Ethyl 1-cyanopyrrolo(2,1-A)isoquinoline-3-carboxylate
Property Insights of Ethyl 1-cyanopyrrolo(2,1-A)isoquinoline-3-carboxylate
The XLogP value of 3.14088 indicates that Ethyl 1-cyanopyrrolo(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-cyanopyrrolo(2,1-A)isoquinoline-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-cyanopyrrolo(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-cyanopyrrolo(2,1-A)isoquinoline-3-carboxylate?
The CAS number of Ethyl 1-cyanopyrrolo(2,1-A)isoquinoline-3-carboxylate is 128353-03-7.
What is the molecular formula of Ethyl 1-cyanopyrrolo(2,1-A)isoquinoline-3-carboxylate?
The molecular formula of Ethyl 1-cyanopyrrolo(2,1-A)isoquinoline-3-carboxylate is C16H12N2O2.
What is the molecular weight of Ethyl 1-cyanopyrrolo(2,1-A)isoquinoline-3-carboxylate?
The molecular weight of Ethyl 1-cyanopyrrolo(2,1-A)isoquinoline-3-carboxylate is 264.09 g/mol.
Where can I buy Ethyl 1-cyanopyrrolo(2,1-A)isoquinoline-3-carboxylate?
You can request a quote for Ethyl 1-cyanopyrrolo(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-cyanopyrrolo(2,1-A)isoquinoline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-cyanopyrrolo(2,1-A)isoquinoline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.