![(3aS,6aS)-3-(pyrazine-2-carbonyl)-5-(p-tolyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione structure](/static/products/955/955971-98-9.png)
(3aS,6aS)-3-(pyrazine-2-carbonyl)-5-(p-tolyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione
TL;DR: (3aS,6aS)-3-(pyrazine-2-carbonyl)-5-(p-tolyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione (CAS 955971-98-9) is a chemical compound with molecular formula C17H13N5O3 and molecular weight 335.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aS,6aS)-5-(4-methylphenyl)-3-(pyrazine-2-carbonyl)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-4,6-dione
Also Known As: (3aS,6aS)-3-(pyrazine-2-carbonyl)-5-(p-tolyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione, (3aS,6aS)-5-(4-methylphenyl)-3-(pyrazin-2-ylcarbonyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione, (3aS,6aS)-5-(4-methylphenyl)-3-(pyrazine-2-carbonyl)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-4,6-dione
| Molecular Formula | C17H13N5O3 |
|---|---|
| Molecular Weight | 335.10 g/mol |
| LogP | 0.48512 |
| Topological Polar Surface Area | 104.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.10184 |
| Heavy Atoms | 25 |
| Complexity | 907.6404 |
Chemical Identifiers
| CAS Number | 955971-98-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)NN=C3C(=O)C4=NC=CN=C4 |
Product Overview
(3aS,6aS)-3-(pyrazine-2-carbonyl)-5-(p-tolyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione (CAS 955971-98-9), with molecular formula C17H13N5O3 and molecular weight 335.10 g/mol. IUPAC: (3aS,6aS)-5-(4-methylphenyl)-3-(pyrazine-2-carbonyl)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-4,6-dione.
Chemical Property Profile of (3aS,6aS)-3-(pyrazine-2-carbonyl)-5-(p-tolyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione
Property Insights of (3aS,6aS)-3-(pyrazine-2-carbonyl)-5-(p-tolyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione
The XLogP value of 0.48512 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3aS,6aS)-3-(pyrazine-2-carbonyl)-5-(p-tolyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione. The TPSA of 104.62 Ų falls within the moderate polarity range, balancing permeability and solubility for (3aS,6aS)-3-(pyrazine-2-carbonyl)-5-(p-tolyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione. Following Lipinski's Rule of Five, (3aS,6aS)-3-(pyrazine-2-carbonyl)-5-(p-tolyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,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)-3-(pyrazine-2-carbonyl)-5-(p-tolyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione?
The CAS number of (3aS,6aS)-3-(pyrazine-2-carbonyl)-5-(p-tolyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione is 955971-98-9.
What is the molecular formula of (3aS,6aS)-3-(pyrazine-2-carbonyl)-5-(p-tolyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione?
The molecular formula of (3aS,6aS)-3-(pyrazine-2-carbonyl)-5-(p-tolyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione is C17H13N5O3.
What is the molecular weight of (3aS,6aS)-3-(pyrazine-2-carbonyl)-5-(p-tolyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione?
The molecular weight of (3aS,6aS)-3-(pyrazine-2-carbonyl)-5-(p-tolyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione is 335.10 g/mol.
Where can I buy (3aS,6aS)-3-(pyrazine-2-carbonyl)-5-(p-tolyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione?
You can request a quote for (3aS,6aS)-3-(pyrazine-2-carbonyl)-5-(p-tolyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,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)-3-(pyrazine-2-carbonyl)-5-(p-tolyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (3aS,6aS)-3-(pyrazine-2-carbonyl)-5-(p-tolyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.