![3-(4-Bromobenzoyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile structure](/static/products/618/618070-07-8.png)
3-(4-Bromobenzoyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile
TL;DR: 3-(4-Bromobenzoyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile (CAS 618070-07-8) is a chemical compound with molecular formula C20H11BrN2O and molecular weight 374.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromobenzoyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile
Also Known As: 3-(4-bromobenzoyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile, 3-(4-bromobenzoyl)pyrrolo(2,1-a)isoquinoline-1-carbonitrile
| Molecular Formula | C20H11BrN2O |
|---|---|
| Molecular Weight | 374.01 g/mol |
| LogP | 4.95768 |
| Topological Polar Surface Area | 45.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 374.0055 |
| Heavy Atoms | 24 |
| Complexity | 1134.191 |
Chemical Identifiers
| CAS Number | 618070-07-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CN3C2=C(C=C3C(=O)C4=CC=C(C=C4)Br)C#N |
Product Overview
3-(4-Bromobenzoyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile (CAS 618070-07-8), with molecular formula C20H11BrN2O and molecular weight 374.01 g/mol. IUPAC: 3-(4-bromobenzoyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile.
Chemical Property Profile of 3-(4-Bromobenzoyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile
Property Insights of 3-(4-Bromobenzoyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile
The XLogP value of 4.95768 indicates that 3-(4-Bromobenzoyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.27 Ų, 3-(4-Bromobenzoyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Bromobenzoyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile has 0 hydrogen bond donor(s) and 2 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 3-(4-Bromobenzoyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile?
The CAS number of 3-(4-Bromobenzoyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile is 618070-07-8.
What is the molecular formula of 3-(4-Bromobenzoyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile?
The molecular formula of 3-(4-Bromobenzoyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile is C20H11BrN2O.
What is the molecular weight of 3-(4-Bromobenzoyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile?
The molecular weight of 3-(4-Bromobenzoyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile is 374.01 g/mol.
Where can I buy 3-(4-Bromobenzoyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile?
You can request a quote for 3-(4-Bromobenzoyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Bromobenzoyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Bromobenzoyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.