![3-acetyl-5-(3-chloro-2-methylphenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione structure](/static/products/100/1008960-77-7.png)
3-acetyl-5-(3-chloro-2-methylphenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
TL;DR: 3-acetyl-5-(3-chloro-2-methylphenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione (CAS 1008960-77-7) is a chemical compound with molecular formula C20H16ClN3O3 and molecular weight 381.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-5-(3-chloro-2-methylphenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione
Also Known As: 3-acetyl-5-(3-chloro-2-methylphenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione, 3-acetyl-5-(3-chloro-2-methylphenyl)-1-phenyl-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione, 3-ACETYL-5-(3-CHLORO-2-METHYLPHENYL)-1-PHENYL-1H,3AH,4H,5H,6H,6AH-PYRROLO[3,4-C]PYRAZOLE-4,6-DIONE, 3-acetyl-5-(3-chloro-2-methylphenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione
| Molecular Formula | C20H16ClN3O3 |
|---|---|
| Molecular Weight | 381.09 g/mol |
| LogP | 2.97162 |
| Topological Polar Surface Area | 70.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 381.088 |
| Heavy Atoms | 27 |
| Complexity | 1002.78644 |
Chemical Identifiers
| CAS Number | 1008960-77-7 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)N2C(=O)C3C(C2=O)N(N=C3C(=O)C)C4=CC=CC=C4 |
Product Overview
3-acetyl-5-(3-chloro-2-methylphenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione (CAS 1008960-77-7), with molecular formula C20H16ClN3O3 and molecular weight 381.09 g/mol. IUPAC: 3-acetyl-5-(3-chloro-2-methylphenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione.
Chemical Property Profile of 3-acetyl-5-(3-chloro-2-methylphenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Property Insights of 3-acetyl-5-(3-chloro-2-methylphenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
The XLogP value of 2.97162 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-acetyl-5-(3-chloro-2-methylphenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione. The TPSA of 70.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-acetyl-5-(3-chloro-2-methylphenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, 3-acetyl-5-(3-chloro-2-methylphenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione has 0 hydrogen bond donor(s) and 5 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 3-acetyl-5-(3-chloro-2-methylphenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione?
The CAS number of 3-acetyl-5-(3-chloro-2-methylphenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione is 1008960-77-7.
What is the molecular formula of 3-acetyl-5-(3-chloro-2-methylphenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione?
The molecular formula of 3-acetyl-5-(3-chloro-2-methylphenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione is C20H16ClN3O3.
What is the molecular weight of 3-acetyl-5-(3-chloro-2-methylphenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione?
The molecular weight of 3-acetyl-5-(3-chloro-2-methylphenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione is 381.09 g/mol.
Where can I buy 3-acetyl-5-(3-chloro-2-methylphenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione?
You can request a quote for 3-acetyl-5-(3-chloro-2-methylphenyl)-1-phenyl-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 3-acetyl-5-(3-chloro-2-methylphenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-acetyl-5-(3-chloro-2-methylphenyl)-1-phenyl-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.