![1-Benzyl-3-(3-nitrophenyl)-2,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrazole-4,6-dione structure](/static/products/1005/1005133-61-8.webp)
1-Benzyl-3-(3-nitrophenyl)-2,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrazole-4,6-dione
TL;DR: 1-Benzyl-3-(3-nitrophenyl)-2,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrazole-4,6-dione (CAS 1005133-61-8) is a chemical compound with molecular formula C18H16N4O4 and molecular weight 352.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-(3-nitrophenyl)-2,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrazole-4,6-dione
Also Known As: 1-benzyl-3-(3-nitrophenyl)-2,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrazole-4,6-dione, 6-benzyl-8-(3-nitrophenyl)-3,6,7-triazabicyclo[3.3.0]octane-2,4-dione, 1-benzyl-3-(3-nitrophenyl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione, 6-(3-nitrophenyl)-4-benzyl-2,4,5,6,3a,6a-hexahydro-2,4,5-triazapentalene-1,3-d ione
| Molecular Formula | C18H16N4O4 |
|---|---|
| Molecular Weight | 352.12 g/mol |
| LogP | 1.2975 |
| Topological Polar Surface Area | 104.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 352.11716 |
| Heavy Atoms | 26 |
| Complexity | 885.76965 |
Chemical Identifiers
| CAS Number | 1005133-61-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3C(C(N2)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)NC3=O |
Product Overview
1-Benzyl-3-(3-nitrophenyl)-2,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrazole-4,6-dione (CAS 1005133-61-8), with molecular formula C18H16N4O4 and molecular weight 352.12 g/mol. IUPAC: 1-benzyl-3-(3-nitrophenyl)-2,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrazole-4,6-dione.
Chemical Property Profile of 1-Benzyl-3-(3-nitrophenyl)-2,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrazole-4,6-dione
Property Insights of 1-Benzyl-3-(3-nitrophenyl)-2,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrazole-4,6-dione
The XLogP value of 1.2975 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-3-(3-nitrophenyl)-2,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrazole-4,6-dione. The TPSA of 104.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Benzyl-3-(3-nitrophenyl)-2,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrazole-4,6-dione. Following Lipinski's Rule of Five, 1-Benzyl-3-(3-nitrophenyl)-2,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrazole-4,6-dione has 2 hydrogen bond donor(s) and 6 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 1-Benzyl-3-(3-nitrophenyl)-2,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrazole-4,6-dione?
The CAS number of 1-Benzyl-3-(3-nitrophenyl)-2,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrazole-4,6-dione is 1005133-61-8.
What is the molecular formula of 1-Benzyl-3-(3-nitrophenyl)-2,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrazole-4,6-dione?
The molecular formula of 1-Benzyl-3-(3-nitrophenyl)-2,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrazole-4,6-dione is C18H16N4O4.
What is the molecular weight of 1-Benzyl-3-(3-nitrophenyl)-2,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrazole-4,6-dione?
The molecular weight of 1-Benzyl-3-(3-nitrophenyl)-2,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrazole-4,6-dione is 352.12 g/mol.
Where can I buy 1-Benzyl-3-(3-nitrophenyl)-2,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrazole-4,6-dione?
You can request a quote for 1-Benzyl-3-(3-nitrophenyl)-2,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrazole-4,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-3-(3-nitrophenyl)-2,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrazole-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-3-(3-nitrophenyl)-2,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrazole-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.