![methyl 5-(4-ethylphenyl)-1-((1S,3S,5R)-3-methyladamantan-1-yl)-4,6-dioxo-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole-3-carboxylate structure](/static/products/956/956741-10-9.png)
methyl 5-(4-ethylphenyl)-1-((1S,3S,5R)-3-methyladamantan-1-yl)-4,6-dioxo-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole-3-carboxylate
TL;DR: methyl 5-(4-ethylphenyl)-1-((1S,3S,5R)-3-methyladamantan-1-yl)-4,6-dioxo-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole-3-carboxylate (CAS 956741-10-9) is a chemical compound with molecular formula C26H29N3O4 and molecular weight 447.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(4-ethylphenyl)-1-(3-methyl-1-adamantyl)-4,6-dioxopyrrolo[3,4-d]pyrazole-3-carboxylate
Also Known As: methyl 5-(4-ethylphenyl)-1-((1S,3S,5R)-3-methyladamantan-1-yl)-4,6-dioxo-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole-3-carboxylate, methyl 5-(4-ethylphenyl)-1-(3-methyl-1-adamantyl)-4,6-dioxopyrrolo[3,4-c]pyrazole-3-carboxylate, methyl 5-(4-ethylphenyl)-1-(3-methyladamantan-1-yl)-4,6-dioxo-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole-3-carboxylate, methyl 5-(4-ethylphenyl)-1-(3-methyltricyclo[3.3.1.1~3,7~]dec-1-yl)-4,6-dioxo-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole-3-carboxylate
| Molecular Formula | C26H29N3O4 |
|---|---|
| Molecular Weight | 447.22 g/mol |
| LogP | 4.3481 |
| Topological Polar Surface Area | 81.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 447.21582 |
| Heavy Atoms | 33 |
| Complexity | 1180.8644 |
Chemical Identifiers
| CAS Number | 956741-10-9 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)N(N=C3C(=O)OC)C45CC6CC(C4)CC(C6)(C5)C |
Product Overview
methyl 5-(4-ethylphenyl)-1-((1S,3S,5R)-3-methyladamantan-1-yl)-4,6-dioxo-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole-3-carboxylate (CAS 956741-10-9), with molecular formula C26H29N3O4 and molecular weight 447.22 g/mol. IUPAC: methyl 5-(4-ethylphenyl)-1-(3-methyl-1-adamantyl)-4,6-dioxopyrrolo[3,4-d]pyrazole-3-carboxylate.
Chemical Property Profile of methyl 5-(4-ethylphenyl)-1-((1S,3S,5R)-3-methyladamantan-1-yl)-4,6-dioxo-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Property Insights of methyl 5-(4-ethylphenyl)-1-((1S,3S,5R)-3-methyladamantan-1-yl)-4,6-dioxo-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole-3-carboxylate
The XLogP value of 4.3481 indicates that methyl 5-(4-ethylphenyl)-1-((1S,3S,5R)-3-methyladamantan-1-yl)-4,6-dioxo-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.5 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-(4-ethylphenyl)-1-((1S,3S,5R)-3-methyladamantan-1-yl)-4,6-dioxo-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole-3-carboxylate. Following Lipinski's Rule of Five, methyl 5-(4-ethylphenyl)-1-((1S,3S,5R)-3-methyladamantan-1-yl)-4,6-dioxo-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole-3-carboxylate 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 methyl 5-(4-ethylphenyl)-1-((1S,3S,5R)-3-methyladamantan-1-yl)-4,6-dioxo-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole-3-carboxylate?
The CAS number of methyl 5-(4-ethylphenyl)-1-((1S,3S,5R)-3-methyladamantan-1-yl)-4,6-dioxo-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole-3-carboxylate is 956741-10-9.
What is the molecular formula of methyl 5-(4-ethylphenyl)-1-((1S,3S,5R)-3-methyladamantan-1-yl)-4,6-dioxo-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole-3-carboxylate?
The molecular formula of methyl 5-(4-ethylphenyl)-1-((1S,3S,5R)-3-methyladamantan-1-yl)-4,6-dioxo-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole-3-carboxylate is C26H29N3O4.
What is the molecular weight of methyl 5-(4-ethylphenyl)-1-((1S,3S,5R)-3-methyladamantan-1-yl)-4,6-dioxo-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole-3-carboxylate?
The molecular weight of methyl 5-(4-ethylphenyl)-1-((1S,3S,5R)-3-methyladamantan-1-yl)-4,6-dioxo-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole-3-carboxylate is 447.22 g/mol.
Where can I buy methyl 5-(4-ethylphenyl)-1-((1S,3S,5R)-3-methyladamantan-1-yl)-4,6-dioxo-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole-3-carboxylate?
You can request a quote for methyl 5-(4-ethylphenyl)-1-((1S,3S,5R)-3-methyladamantan-1-yl)-4,6-dioxo-1,4,5,6-tetrahydropyrrolo[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 5-(4-ethylphenyl)-1-((1S,3S,5R)-3-methyladamantan-1-yl)-4,6-dioxo-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-(4-ethylphenyl)-1-((1S,3S,5R)-3-methyladamantan-1-yl)-4,6-dioxo-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.