![2-(4-((3aR,6aR)-5-allyl-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazol-3-yl)phenoxy)acetamide structure](/static/products/121/1212213-47-2.png)
2-(4-((3aR,6aR)-5-allyl-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazol-3-yl)phenoxy)acetamide
TL;DR: 2-(4-((3aR,6aR)-5-allyl-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazol-3-yl)phenoxy)acetamide (CAS 1212213-47-2) is a chemical compound with molecular formula C22H20N4O4 and molecular weight 404.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(3aR,6aR)-4,6-dioxo-1-phenyl-5-prop-2-enyl-3a,6a-dihydropyrrolo[3,4-c]pyrazol-3-yl]phenoxy]acetamide
Also Known As: 2-(4-((3aR,6aR)-5-allyl-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazol-3-yl)phenoxy)acetamide, 2-[4-[(3aR,6aR)-4,6-dioxo-1-phenyl-5-prop-2-enyl-3a,6a-dihydropyrrolo[3,4-c]pyrazol-3-yl]phenoxy]acetamide, 2-{4-[(3aR,6aR)-4,6-dioxo-1-phenyl-5-(prop-2-en-1-yl)-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazol-3-yl]phenoxy}acetamide
| Molecular Formula | C22H20N4O4 |
|---|---|
| Molecular Weight | 404.15 g/mol |
| LogP | 1.3146 |
| Topological Polar Surface Area | 105.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 404.14847 |
| Heavy Atoms | 30 |
| Complexity | 1032.8629 |
Chemical Identifiers
| CAS Number | 1212213-47-2 |
|---|---|
| SMILES | C=CCN1C(=O)[C@@H]2[C@H](C1=O)N(N=C2C3=CC=C(C=C3)OCC(=O)N)C4=CC=CC=C4 |
Product Overview
2-(4-((3aR,6aR)-5-allyl-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazol-3-yl)phenoxy)acetamide (CAS 1212213-47-2), with molecular formula C22H20N4O4 and molecular weight 404.15 g/mol. IUPAC: 2-[4-[(3aR,6aR)-4,6-dioxo-1-phenyl-5-prop-2-enyl-3a,6a-dihydropyrrolo[3,4-c]pyrazol-3-yl]phenoxy]acetamide.
Chemical Property Profile of 2-(4-((3aR,6aR)-5-allyl-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazol-3-yl)phenoxy)acetamide
Property Insights of 2-(4-((3aR,6aR)-5-allyl-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazol-3-yl)phenoxy)acetamide
The XLogP value of 1.3146 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-((3aR,6aR)-5-allyl-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazol-3-yl)phenoxy)acetamide. The TPSA of 105.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-((3aR,6aR)-5-allyl-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazol-3-yl)phenoxy)acetamide. Following Lipinski's Rule of Five, 2-(4-((3aR,6aR)-5-allyl-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazol-3-yl)phenoxy)acetamide has 1 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 2-(4-((3aR,6aR)-5-allyl-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazol-3-yl)phenoxy)acetamide?
The CAS number of 2-(4-((3aR,6aR)-5-allyl-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazol-3-yl)phenoxy)acetamide is 1212213-47-2.
What is the molecular formula of 2-(4-((3aR,6aR)-5-allyl-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazol-3-yl)phenoxy)acetamide?
The molecular formula of 2-(4-((3aR,6aR)-5-allyl-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazol-3-yl)phenoxy)acetamide is C22H20N4O4.
What is the molecular weight of 2-(4-((3aR,6aR)-5-allyl-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazol-3-yl)phenoxy)acetamide?
The molecular weight of 2-(4-((3aR,6aR)-5-allyl-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazol-3-yl)phenoxy)acetamide is 404.15 g/mol.
Where can I buy 2-(4-((3aR,6aR)-5-allyl-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazol-3-yl)phenoxy)acetamide?
You can request a quote for 2-(4-((3aR,6aR)-5-allyl-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazol-3-yl)phenoxy)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-((3aR,6aR)-5-allyl-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazol-3-yl)phenoxy)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-((3aR,6aR)-5-allyl-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazol-3-yl)phenoxy)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.