![Methyl 4-(1-benzyl-4,6-dioxooctahydropyrrolo[3,4-c]pyrazol-3-yl)benzoate structure](/static/products/1005/1005108-39-3.webp)
Methyl 4-(1-benzyl-4,6-dioxooctahydropyrrolo[3,4-c]pyrazol-3-yl)benzoate
TL;DR: Methyl 4-(1-benzyl-4,6-dioxooctahydropyrrolo[3,4-c]pyrazol-3-yl)benzoate (CAS 1005108-39-3) is a chemical compound with molecular formula C20H19N3O4 and molecular weight 365.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(1-benzyl-4,6-dioxo-2,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrazol-3-yl)benzoate
Also Known As: methyl 4-(1-benzyl-4,6-dioxooctahydropyrrolo[3,4-c]pyrazol-3-yl)benzoate, VU0507591-1, F3023-0125, methyl 4-(1-benzyl-4,6-dioxo-2,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrazol-3-yl)benzoate, methyl 4-{1-benzyl-4,6-dioxo-octahydropyrrolo[3,4-c]pyrazol-3-yl}benzoate
| Molecular Formula | C20H19N3O4 |
|---|---|
| Molecular Weight | 365.14 g/mol |
| LogP | 1.1759 |
| Topological Polar Surface Area | 87.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 365.13754 |
| Heavy Atoms | 27 |
| Complexity | 881.8597 |
Chemical Identifiers
| CAS Number | 1005108-39-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2C3C(C(=O)NC3=O)N(N2)CC4=CC=CC=C4 |
Product Overview
Methyl 4-(1-benzyl-4,6-dioxooctahydropyrrolo[3,4-c]pyrazol-3-yl)benzoate (CAS 1005108-39-3), with molecular formula C20H19N3O4 and molecular weight 365.14 g/mol. IUPAC: methyl 4-(1-benzyl-4,6-dioxo-2,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrazol-3-yl)benzoate.
Chemical Property Profile of Methyl 4-(1-benzyl-4,6-dioxooctahydropyrrolo[3,4-c]pyrazol-3-yl)benzoate
Property Insights of Methyl 4-(1-benzyl-4,6-dioxooctahydropyrrolo[3,4-c]pyrazol-3-yl)benzoate
The XLogP value of 1.1759 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(1-benzyl-4,6-dioxooctahydropyrrolo[3,4-c]pyrazol-3-yl)benzoate. The TPSA of 87.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(1-benzyl-4,6-dioxooctahydropyrrolo[3,4-c]pyrazol-3-yl)benzoate. Following Lipinski's Rule of Five, Methyl 4-(1-benzyl-4,6-dioxooctahydropyrrolo[3,4-c]pyrazol-3-yl)benzoate 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 Methyl 4-(1-benzyl-4,6-dioxooctahydropyrrolo[3,4-c]pyrazol-3-yl)benzoate?
The CAS number of Methyl 4-(1-benzyl-4,6-dioxooctahydropyrrolo[3,4-c]pyrazol-3-yl)benzoate is 1005108-39-3.
What is the molecular formula of Methyl 4-(1-benzyl-4,6-dioxooctahydropyrrolo[3,4-c]pyrazol-3-yl)benzoate?
The molecular formula of Methyl 4-(1-benzyl-4,6-dioxooctahydropyrrolo[3,4-c]pyrazol-3-yl)benzoate is C20H19N3O4.
What is the molecular weight of Methyl 4-(1-benzyl-4,6-dioxooctahydropyrrolo[3,4-c]pyrazol-3-yl)benzoate?
The molecular weight of Methyl 4-(1-benzyl-4,6-dioxooctahydropyrrolo[3,4-c]pyrazol-3-yl)benzoate is 365.14 g/mol.
Where can I buy Methyl 4-(1-benzyl-4,6-dioxooctahydropyrrolo[3,4-c]pyrazol-3-yl)benzoate?
You can request a quote for Methyl 4-(1-benzyl-4,6-dioxooctahydropyrrolo[3,4-c]pyrazol-3-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(1-benzyl-4,6-dioxooctahydropyrrolo[3,4-c]pyrazol-3-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(1-benzyl-4,6-dioxooctahydropyrrolo[3,4-c]pyrazol-3-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.