![methyl 1-acetyl-4,6-dioxo-5-(p-tolyl)-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate structure](/static/products/100/1008389-53-4.png)
methyl 1-acetyl-4,6-dioxo-5-(p-tolyl)-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
TL;DR: methyl 1-acetyl-4,6-dioxo-5-(p-tolyl)-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate (CAS 1008389-53-4) is a chemical compound with molecular formula C16H15N3O5 and molecular weight 329.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-acetyl-5-(4-methylphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate
Also Known As: methyl 1-acetyl-4,6-dioxo-5-(p-tolyl)-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate, methyl 1-acetyl-5-(4-methylphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate, methyl 1-acetyl-5-(4-methylphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate
| Molecular Formula | C16H15N3O5 |
|---|---|
| Molecular Weight | 329.10 g/mol |
| LogP | 0.24412 |
| Topological Polar Surface Area | 96.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 329.10117 |
| Heavy Atoms | 24 |
| Complexity | 783.40753 |
Chemical Identifiers
| CAS Number | 1008389-53-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3C(C2=O)N(N=C3C(=O)OC)C(=O)C |
Product Overview
methyl 1-acetyl-4,6-dioxo-5-(p-tolyl)-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate (CAS 1008389-53-4), with molecular formula C16H15N3O5 and molecular weight 329.10 g/mol. IUPAC: methyl 1-acetyl-5-(4-methylphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate.
Chemical Property Profile of methyl 1-acetyl-4,6-dioxo-5-(p-tolyl)-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Property Insights of methyl 1-acetyl-4,6-dioxo-5-(p-tolyl)-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
The XLogP value of 0.24412 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 1-acetyl-4,6-dioxo-5-(p-tolyl)-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate. The TPSA of 96.35 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 1-acetyl-4,6-dioxo-5-(p-tolyl)-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate. Following Lipinski's Rule of Five, methyl 1-acetyl-4,6-dioxo-5-(p-tolyl)-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate 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 methyl 1-acetyl-4,6-dioxo-5-(p-tolyl)-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate?
The CAS number of methyl 1-acetyl-4,6-dioxo-5-(p-tolyl)-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate is 1008389-53-4.
What is the molecular formula of methyl 1-acetyl-4,6-dioxo-5-(p-tolyl)-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate?
The molecular formula of methyl 1-acetyl-4,6-dioxo-5-(p-tolyl)-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate is C16H15N3O5.
What is the molecular weight of methyl 1-acetyl-4,6-dioxo-5-(p-tolyl)-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate?
The molecular weight of methyl 1-acetyl-4,6-dioxo-5-(p-tolyl)-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate is 329.10 g/mol.
Where can I buy methyl 1-acetyl-4,6-dioxo-5-(p-tolyl)-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate?
You can request a quote for methyl 1-acetyl-4,6-dioxo-5-(p-tolyl)-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 1-acetyl-4,6-dioxo-5-(p-tolyl)-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 1-acetyl-4,6-dioxo-5-(p-tolyl)-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.