![[2-[(3Ar)-3a-methyl-1-(3-methylbenzoyl)-5-oxo-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-2-yl]phenyl] 3-methylbenzoate structure](/static/products/956/956448-51-4.png)
[2-[(3Ar)-3a-methyl-1-(3-methylbenzoyl)-5-oxo-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-2-yl]phenyl] 3-methylbenzoate
TL;DR: [2-[(3Ar)-3a-methyl-1-(3-methylbenzoyl)-5-oxo-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-2-yl]phenyl] 3-methylbenzoate (CAS 956448-51-4) is a chemical compound with molecular formula C29H28N2O4 and molecular weight 468.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[3a-methyl-1-(3-methylbenzoyl)-5-oxo-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-2-yl]phenyl] 3-methylbenzoate
Also Known As: [2-[(3Ar)-3a-methyl-1-(3-methylbenzoyl)-5-oxo-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-2-yl]phenyl] 3-methylbenzoate|[2-[3a-methyl-1-(3-methylbenzoyl)-5-oxo-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-2-yl]phenyl] 3-methylbenzoate
| Molecular Formula | C29H28N2O4 |
|---|---|
| Molecular Weight | 468.20 g/mol |
| LogP | 4.96214 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 468.2049 |
| Heavy Atoms | 35 |
| Complexity | 1333.5168 |
Chemical Identifiers
| CAS Number | 956448-51-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)N2C(CC3(C2NC(=O)C3)C)C4=CC=CC=C4OC(=O)C5=CC=CC(=C5)C |
Product Overview
[2-[(3Ar)-3a-methyl-1-(3-methylbenzoyl)-5-oxo-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-2-yl]phenyl] 3-methylbenzoate (CAS 956448-51-4), with molecular formula C29H28N2O4 and molecular weight 468.20 g/mol. IUPAC: [2-[3a-methyl-1-(3-methylbenzoyl)-5-oxo-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-2-yl]phenyl] 3-methylbenzoate.
Chemical Property Profile of [2-[(3Ar)-3a-methyl-1-(3-methylbenzoyl)-5-oxo-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-2-yl]phenyl] 3-methylbenzoate
Property Insights of [2-[(3Ar)-3a-methyl-1-(3-methylbenzoyl)-5-oxo-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-2-yl]phenyl] 3-methylbenzoate
The XLogP value of 4.96214 indicates that [2-[(3Ar)-3a-methyl-1-(3-methylbenzoyl)-5-oxo-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-2-yl]phenyl] 3-methylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-[(3Ar)-3a-methyl-1-(3-methylbenzoyl)-5-oxo-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-2-yl]phenyl] 3-methylbenzoate. Following Lipinski's Rule of Five, [2-[(3Ar)-3a-methyl-1-(3-methylbenzoyl)-5-oxo-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-2-yl]phenyl] 3-methylbenzoate has 1 hydrogen bond donor(s) and 4 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-[(3Ar)-3a-methyl-1-(3-methylbenzoyl)-5-oxo-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-2-yl]phenyl] 3-methylbenzoate?
The CAS number of [2-[(3Ar)-3a-methyl-1-(3-methylbenzoyl)-5-oxo-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-2-yl]phenyl] 3-methylbenzoate is 956448-51-4.
What is the molecular formula of [2-[(3Ar)-3a-methyl-1-(3-methylbenzoyl)-5-oxo-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-2-yl]phenyl] 3-methylbenzoate?
The molecular formula of [2-[(3Ar)-3a-methyl-1-(3-methylbenzoyl)-5-oxo-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-2-yl]phenyl] 3-methylbenzoate is C29H28N2O4.
What is the molecular weight of [2-[(3Ar)-3a-methyl-1-(3-methylbenzoyl)-5-oxo-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-2-yl]phenyl] 3-methylbenzoate?
The molecular weight of [2-[(3Ar)-3a-methyl-1-(3-methylbenzoyl)-5-oxo-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-2-yl]phenyl] 3-methylbenzoate is 468.20 g/mol.
Where can I buy [2-[(3Ar)-3a-methyl-1-(3-methylbenzoyl)-5-oxo-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-2-yl]phenyl] 3-methylbenzoate?
You can request a quote for [2-[(3Ar)-3a-methyl-1-(3-methylbenzoyl)-5-oxo-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-2-yl]phenyl] 3-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-[(3Ar)-3a-methyl-1-(3-methylbenzoyl)-5-oxo-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-2-yl]phenyl] 3-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-[(3Ar)-3a-methyl-1-(3-methylbenzoyl)-5-oxo-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-2-yl]phenyl] 3-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.