![5,5-Dimethyl-1-(phenylcarbonyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline-2,3-dione structure](/static/products/163/163769-86-6.png)
5,5-Dimethyl-1-(phenylcarbonyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline-2,3-dione
TL;DR: 5,5-Dimethyl-1-(phenylcarbonyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline-2,3-dione (CAS 163769-86-6) is a chemical compound with molecular formula C21H17NO3 and molecular weight 331.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzoyl-5,5-dimethyl-6H-pyrrolo[2,1-a]isoquinoline-2,3-dione
Also Known As: 1-benzoyl-5,5-dimethyl-6H-pyrrolo[2,1-a]isoquinoline-2,3-dione, 1-benzoyl-5,5-dimethyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2,3-dione, 5,5-dimethyl-1-(phenylcarbonyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline-2,3-dione
| Molecular Formula | C21H17NO3 |
|---|---|
| Molecular Weight | 331.12 g/mol |
| LogP | 3.0266 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 331.12085 |
| Heavy Atoms | 25 |
| Complexity | 954.1163 |
Chemical Identifiers
| CAS Number | 163769-86-6 |
|---|---|
| SMILES | CC1(CC2=CC=CC=C2C3=C(C(=O)C(=O)N31)C(=O)C4=CC=CC=C4)C |
Product Overview
5,5-Dimethyl-1-(phenylcarbonyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline-2,3-dione (CAS 163769-86-6), with molecular formula C21H17NO3 and molecular weight 331.12 g/mol. IUPAC: 1-benzoyl-5,5-dimethyl-6H-pyrrolo[2,1-a]isoquinoline-2,3-dione.
Chemical Property Profile of 5,5-Dimethyl-1-(phenylcarbonyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline-2,3-dione
Property Insights of 5,5-Dimethyl-1-(phenylcarbonyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline-2,3-dione
The XLogP value of 3.0266 indicates that 5,5-Dimethyl-1-(phenylcarbonyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline-2,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.45 Ų, 5,5-Dimethyl-1-(phenylcarbonyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline-2,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,5-Dimethyl-1-(phenylcarbonyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline-2,3-dione 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 5,5-Dimethyl-1-(phenylcarbonyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline-2,3-dione?
The CAS number of 5,5-Dimethyl-1-(phenylcarbonyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline-2,3-dione is 163769-86-6.
What is the molecular formula of 5,5-Dimethyl-1-(phenylcarbonyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline-2,3-dione?
The molecular formula of 5,5-Dimethyl-1-(phenylcarbonyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline-2,3-dione is C21H17NO3.
What is the molecular weight of 5,5-Dimethyl-1-(phenylcarbonyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline-2,3-dione?
The molecular weight of 5,5-Dimethyl-1-(phenylcarbonyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline-2,3-dione is 331.12 g/mol.
Where can I buy 5,5-Dimethyl-1-(phenylcarbonyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline-2,3-dione?
You can request a quote for 5,5-Dimethyl-1-(phenylcarbonyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline-2,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5-Dimethyl-1-(phenylcarbonyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline-2,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Dimethyl-1-(phenylcarbonyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline-2,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.