![(3aS,6aS)-5-(3-methoxyphenyl)-3-(quinolin-2-ylcarbonyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione structure](/static/products/312/312964-69-5.png)
(3aS,6aS)-5-(3-methoxyphenyl)-3-(quinolin-2-ylcarbonyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
TL;DR: (3aS,6aS)-5-(3-methoxyphenyl)-3-(quinolin-2-ylcarbonyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione (CAS 312964-69-5) is a chemical compound with molecular formula C22H16N4O4 and molecular weight 400.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aS,6aS)-5-(3-methoxyphenyl)-3-(quinoline-2-carbonyl)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-4,6-dione
Also Known As: (3aS,6aS)-5-(3-methoxyphenyl)-3-(quinolin-2-ylcarbonyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione, (3aS,6aS)-5-(3-methoxyphenyl)-3-(quinoline-2-carbonyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione, (3aS,6aS)-5-(3-methoxyphenyl)-3-(quinoline-2-carbonyl)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-4,6-dione
| Molecular Formula | C22H16N4O4 |
|---|---|
| Molecular Weight | 400.12 g/mol |
| LogP | 1.9435 |
| Topological Polar Surface Area | 100.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.11716 |
| Heavy Atoms | 30 |
| Complexity | 1252.626 |
Chemical Identifiers
| CAS Number | 312964-69-5 |
|---|---|
| SMILES | COC1=CC=CC(=C1)N2C(=O)[C@H]3[C@@H](C2=O)NN=C3C(=O)C4=NC5=CC=CC=C5C=C4 |
Product Overview
(3aS,6aS)-5-(3-methoxyphenyl)-3-(quinolin-2-ylcarbonyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione (CAS 312964-69-5), with molecular formula C22H16N4O4 and molecular weight 400.12 g/mol. IUPAC: (3aS,6aS)-5-(3-methoxyphenyl)-3-(quinoline-2-carbonyl)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-4,6-dione.
Chemical Property Profile of (3aS,6aS)-5-(3-methoxyphenyl)-3-(quinolin-2-ylcarbonyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Property Insights of (3aS,6aS)-5-(3-methoxyphenyl)-3-(quinolin-2-ylcarbonyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
The XLogP value of 1.9435 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3aS,6aS)-5-(3-methoxyphenyl)-3-(quinolin-2-ylcarbonyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione. The TPSA of 100.96 Ų falls within the moderate polarity range, balancing permeability and solubility for (3aS,6aS)-5-(3-methoxyphenyl)-3-(quinolin-2-ylcarbonyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, (3aS,6aS)-5-(3-methoxyphenyl)-3-(quinolin-2-ylcarbonyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione has 1 hydrogen bond donor(s) and 7 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 (3aS,6aS)-5-(3-methoxyphenyl)-3-(quinolin-2-ylcarbonyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione?
The CAS number of (3aS,6aS)-5-(3-methoxyphenyl)-3-(quinolin-2-ylcarbonyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione is 312964-69-5.
What is the molecular formula of (3aS,6aS)-5-(3-methoxyphenyl)-3-(quinolin-2-ylcarbonyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione?
The molecular formula of (3aS,6aS)-5-(3-methoxyphenyl)-3-(quinolin-2-ylcarbonyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione is C22H16N4O4.
What is the molecular weight of (3aS,6aS)-5-(3-methoxyphenyl)-3-(quinolin-2-ylcarbonyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione?
The molecular weight of (3aS,6aS)-5-(3-methoxyphenyl)-3-(quinolin-2-ylcarbonyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione is 400.12 g/mol.
Where can I buy (3aS,6aS)-5-(3-methoxyphenyl)-3-(quinolin-2-ylcarbonyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione?
You can request a quote for (3aS,6aS)-5-(3-methoxyphenyl)-3-(quinolin-2-ylcarbonyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3aS,6aS)-5-(3-methoxyphenyl)-3-(quinolin-2-ylcarbonyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (3aS,6aS)-5-(3-methoxyphenyl)-3-(quinolin-2-ylcarbonyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.