![Ethyl 1,3-diphenylpyrrolo[2,1-a]isoquinoline-2-carboxylate structure](/static/products/2095/20958-80-9.webp)
Ethyl 1,3-diphenylpyrrolo[2,1-a]isoquinoline-2-carboxylate
TL;DR: Ethyl 1,3-diphenylpyrrolo[2,1-a]isoquinoline-2-carboxylate (CAS 20958-80-9) is a chemical compound with molecular formula C27H21NO2 and molecular weight 391.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1,3-diphenylpyrrolo[2,1-a]isoquinoline-2-carboxylate
Also Known As: ethyl 1,3-diphenylpyrrolo[2,1-a]isoquinoline-2-carboxylate, ethyl 1,3-diphenylpyrrolo<2,1-a>isoquinoline-2-carboxylate, 1,3-diphenyl-2-pyrrolo[2,1-a]isoquinolinecarboxylic acid ethyl ester
| Molecular Formula | C27H21NO2 |
|---|---|
| Molecular Weight | 391.16 g/mol |
| LogP | 7.3 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 391.15723 |
| Heavy Atoms | 30 |
| Complexity | 579.0 |
Chemical Identifiers
| CAS Number | 20958-80-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N2C=CC3=CC=CC=C3C2=C1C4=CC=CC=C4)C5=CC=CC=C5 |
| InChIKey | ZTOXUNYNBLFSBB-UHFFFAOYSA-N |
Product Overview
Ethyl 1,3-diphenylpyrrolo[2,1-a]isoquinoline-2-carboxylate (CAS 20958-80-9), with molecular formula C27H21NO2 and molecular weight 391.16 g/mol. IUPAC: ethyl 1,3-diphenylpyrrolo[2,1-a]isoquinoline-2-carboxylate.
Chemical Property Profile of Ethyl 1,3-diphenylpyrrolo[2,1-a]isoquinoline-2-carboxylate
Property Insights of Ethyl 1,3-diphenylpyrrolo[2,1-a]isoquinoline-2-carboxylate
The XLogP value of 7.3 indicates that Ethyl 1,3-diphenylpyrrolo[2,1-a]isoquinoline-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.7 Ų, Ethyl 1,3-diphenylpyrrolo[2,1-a]isoquinoline-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1,3-diphenylpyrrolo[2,1-a]isoquinoline-2-carboxylate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 1,3-diphenylpyrrolo[2,1-a]isoquinoline-2-carboxylate?
The CAS number of Ethyl 1,3-diphenylpyrrolo[2,1-a]isoquinoline-2-carboxylate is 20958-80-9.
What is the molecular formula of Ethyl 1,3-diphenylpyrrolo[2,1-a]isoquinoline-2-carboxylate?
The molecular formula of Ethyl 1,3-diphenylpyrrolo[2,1-a]isoquinoline-2-carboxylate is C27H21NO2.
What is the molecular weight of Ethyl 1,3-diphenylpyrrolo[2,1-a]isoquinoline-2-carboxylate?
The molecular weight of Ethyl 1,3-diphenylpyrrolo[2,1-a]isoquinoline-2-carboxylate is 391.16 g/mol.
Where can I buy Ethyl 1,3-diphenylpyrrolo[2,1-a]isoquinoline-2-carboxylate?
You can request a quote for Ethyl 1,3-diphenylpyrrolo[2,1-a]isoquinoline-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 1,3-diphenylpyrrolo[2,1-a]isoquinoline-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1,3-diphenylpyrrolo[2,1-a]isoquinoline-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.