![3-acetyl-5-(3-chloro-2-methylphenyl)-1-(4-methoxyphenyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione structure](/static/products/100/1008390-73-5.png)
3-acetyl-5-(3-chloro-2-methylphenyl)-1-(4-methoxyphenyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione
TL;DR: 3-acetyl-5-(3-chloro-2-methylphenyl)-1-(4-methoxyphenyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione (CAS 1008390-73-5) is a chemical compound with molecular formula C21H18ClN3O4 and molecular weight 411.10 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-(4-methoxyphenyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione
Also Known As: 3-acetyl-5-(3-chloro-2-methylphenyl)-1-(4-methoxyphenyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione, 3-acetyl-5-(3-chloro-2-methylphenyl)-1-(4-methoxyphenyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione, 3-acetyl-5-(3-chloro-2-methylphenyl)-1-(4-methoxyphenyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione, pyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione, 3-acetyl-5-(3-chloro-2-methylphenyl)-3a,6a-dihydro-1-(4-methoxyphenyl)-
| Molecular Formula | C21H18ClN3O4 |
|---|---|
| Molecular Weight | 411.10 g/mol |
| LogP | 2.98022 |
| Topological Polar Surface Area | 79.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.09857 |
| Heavy Atoms | 29 |
| Complexity | 1064.096 |
Chemical Identifiers
| CAS Number | 1008390-73-5 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)N2C(=O)C3C(C2=O)N(N=C3C(=O)C)C4=CC=C(C=C4)OC |
Product Overview
3-acetyl-5-(3-chloro-2-methylphenyl)-1-(4-methoxyphenyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione (CAS 1008390-73-5), with molecular formula C21H18ClN3O4 and molecular weight 411.10 g/mol. IUPAC: 3-acetyl-5-(3-chloro-2-methylphenyl)-1-(4-methoxyphenyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione.
Chemical Property Profile of 3-acetyl-5-(3-chloro-2-methylphenyl)-1-(4-methoxyphenyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione
Property Insights of 3-acetyl-5-(3-chloro-2-methylphenyl)-1-(4-methoxyphenyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione
The XLogP value of 2.98022 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-acetyl-5-(3-chloro-2-methylphenyl)-1-(4-methoxyphenyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione. The TPSA of 79.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-acetyl-5-(3-chloro-2-methylphenyl)-1-(4-methoxyphenyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione. Following Lipinski's Rule of Five, 3-acetyl-5-(3-chloro-2-methylphenyl)-1-(4-methoxyphenyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione has 0 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 3-acetyl-5-(3-chloro-2-methylphenyl)-1-(4-methoxyphenyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione?
The CAS number of 3-acetyl-5-(3-chloro-2-methylphenyl)-1-(4-methoxyphenyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione is 1008390-73-5.
What is the molecular formula of 3-acetyl-5-(3-chloro-2-methylphenyl)-1-(4-methoxyphenyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione?
The molecular formula of 3-acetyl-5-(3-chloro-2-methylphenyl)-1-(4-methoxyphenyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione is C21H18ClN3O4.
What is the molecular weight of 3-acetyl-5-(3-chloro-2-methylphenyl)-1-(4-methoxyphenyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione?
The molecular weight of 3-acetyl-5-(3-chloro-2-methylphenyl)-1-(4-methoxyphenyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione is 411.10 g/mol.
Where can I buy 3-acetyl-5-(3-chloro-2-methylphenyl)-1-(4-methoxyphenyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione?
You can request a quote for 3-acetyl-5-(3-chloro-2-methylphenyl)-1-(4-methoxyphenyl)-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 3-acetyl-5-(3-chloro-2-methylphenyl)-1-(4-methoxyphenyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-acetyl-5-(3-chloro-2-methylphenyl)-1-(4-methoxyphenyl)-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.