![1-((3r,5r,7r)-adamantane-1-carbonyl)-2-(4-methoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile structure](/static/products/100/1005046-72-9.png)
1-((3r,5r,7r)-adamantane-1-carbonyl)-2-(4-methoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
TL;DR: 1-((3r,5r,7r)-adamantane-1-carbonyl)-2-(4-methoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile (CAS 1005046-72-9) is a chemical compound with molecular formula C32H31N3O2 and molecular weight 489.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(adamantane-1-carbonyl)-2-(4-methoxyphenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
Also Known As: 1-((3r,5r,7r)-adamantane-1-carbonyl)-2-(4-methoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile, 1-(adamantane-1-carbonyl)-2-(4-methoxyphenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile, 2-(4-methoxyphenyl)-1-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
| Molecular Formula | C32H31N3O2 |
|---|---|
| Molecular Weight | 489.24 g/mol |
| LogP | 5.88206 |
| Topological Polar Surface Area | 77.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 489.24164 |
| Heavy Atoms | 37 |
| Complexity | 1328.6945 |
Chemical Identifiers
| CAS Number | 1005046-72-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2C(N3C(C2(C#N)C#N)C=CC4=CC=CC=C43)C(=O)C56CC7CC(C5)CC(C7)C6 |
Product Overview
1-((3r,5r,7r)-adamantane-1-carbonyl)-2-(4-methoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile (CAS 1005046-72-9), with molecular formula C32H31N3O2 and molecular weight 489.24 g/mol. IUPAC: 1-(adamantane-1-carbonyl)-2-(4-methoxyphenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile.
Chemical Property Profile of 1-((3r,5r,7r)-adamantane-1-carbonyl)-2-(4-methoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Property Insights of 1-((3r,5r,7r)-adamantane-1-carbonyl)-2-(4-methoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
The XLogP value of 5.88206 indicates that 1-((3r,5r,7r)-adamantane-1-carbonyl)-2-(4-methoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((3r,5r,7r)-adamantane-1-carbonyl)-2-(4-methoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile. Following Lipinski's Rule of Five, 1-((3r,5r,7r)-adamantane-1-carbonyl)-2-(4-methoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-((3r,5r,7r)-adamantane-1-carbonyl)-2-(4-methoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile?
The CAS number of 1-((3r,5r,7r)-adamantane-1-carbonyl)-2-(4-methoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile is 1005046-72-9.
What is the molecular formula of 1-((3r,5r,7r)-adamantane-1-carbonyl)-2-(4-methoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile?
The molecular formula of 1-((3r,5r,7r)-adamantane-1-carbonyl)-2-(4-methoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile is C32H31N3O2.
What is the molecular weight of 1-((3r,5r,7r)-adamantane-1-carbonyl)-2-(4-methoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile?
The molecular weight of 1-((3r,5r,7r)-adamantane-1-carbonyl)-2-(4-methoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile is 489.24 g/mol.
Where can I buy 1-((3r,5r,7r)-adamantane-1-carbonyl)-2-(4-methoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile?
You can request a quote for 1-((3r,5r,7r)-adamantane-1-carbonyl)-2-(4-methoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((3r,5r,7r)-adamantane-1-carbonyl)-2-(4-methoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-((3r,5r,7r)-adamantane-1-carbonyl)-2-(4-methoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.