![methyl 5-(3-chloro-2-methylphenyl)-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate structure](/static/products/100/1008373-72-5.png)
methyl 5-(3-chloro-2-methylphenyl)-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
TL;DR: methyl 5-(3-chloro-2-methylphenyl)-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate (CAS 1008373-72-5) is a chemical compound with molecular formula C20H16ClN3O4 and molecular weight 397.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(3-chloro-2-methylphenyl)-4,6-dioxo-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate
Also Known As: methyl 5-(3-chloro-2-methylphenyl)-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate, methyl 5-(3-chloro-2-methylphenyl)-4,6-dioxo-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate, pyrrolo[3,4-c]pyrazole-3-carboxylic acid, 5-(3-chloro-2-methylphenyl)-1,3a,4,5,6,6a-hexahydro-4,6-dioxo-1-phenyl-, methyl ester
| Molecular Formula | C20H16ClN3O4 |
|---|---|
| Molecular Weight | 397.08 g/mol |
| LogP | 2.55562 |
| Topological Polar Surface Area | 79.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 397.08295 |
| Heavy Atoms | 28 |
| Complexity | 1021.3658 |
Chemical Identifiers
| CAS Number | 1008373-72-5 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)N2C(=O)C3C(C2=O)N(N=C3C(=O)OC)C4=CC=CC=C4 |
Product Overview
methyl 5-(3-chloro-2-methylphenyl)-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate (CAS 1008373-72-5), with molecular formula C20H16ClN3O4 and molecular weight 397.08 g/mol. IUPAC: methyl 5-(3-chloro-2-methylphenyl)-4,6-dioxo-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate.
Chemical Property Profile of methyl 5-(3-chloro-2-methylphenyl)-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Property Insights of methyl 5-(3-chloro-2-methylphenyl)-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
The XLogP value of 2.55562 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 5-(3-chloro-2-methylphenyl)-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate. The TPSA of 79.28 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-(3-chloro-2-methylphenyl)-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate. Following Lipinski's Rule of Five, methyl 5-(3-chloro-2-methylphenyl)-4,6-dioxo-1-phenyl-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 5-(3-chloro-2-methylphenyl)-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate?
The CAS number of methyl 5-(3-chloro-2-methylphenyl)-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate is 1008373-72-5.
What is the molecular formula of methyl 5-(3-chloro-2-methylphenyl)-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate?
The molecular formula of methyl 5-(3-chloro-2-methylphenyl)-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate is C20H16ClN3O4.
What is the molecular weight of methyl 5-(3-chloro-2-methylphenyl)-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate?
The molecular weight of methyl 5-(3-chloro-2-methylphenyl)-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate is 397.08 g/mol.
Where can I buy methyl 5-(3-chloro-2-methylphenyl)-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate?
You can request a quote for methyl 5-(3-chloro-2-methylphenyl)-4,6-dioxo-1-phenyl-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 5-(3-chloro-2-methylphenyl)-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-(3-chloro-2-methylphenyl)-4,6-dioxo-1-phenyl-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.