![(3aR,4S,8bS)-2-(4-methylphenyl)-4-(phenylcarbonyl)hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione structure](/static/products/958/958950-32-8.png)
(3aR,4S,8bS)-2-(4-methylphenyl)-4-(phenylcarbonyl)hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione
TL;DR: (3aR,4S,8bS)-2-(4-methylphenyl)-4-(phenylcarbonyl)hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione (CAS 958950-32-8) is a chemical compound with molecular formula C23H22N2O3 and molecular weight 374.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,4S,8bS)-4-benzoyl-2-(4-methylphenyl)-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizine-1,3-dione
Also Known As: (3aR,4S,8bS)-2-(4-methylphenyl)-4-(phenylcarbonyl)hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione, (3aR,4S,8bS)-4-benzoyl-2-(p-tolyl)hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,8bH)-dione, (3aR,4S,8bS)-4-benzoyl-2-(4-methylphenyl)-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizine-1,3-dione
| Molecular Formula | C23H22N2O3 |
|---|---|
| Molecular Weight | 374.16 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 374.16306 |
| Heavy Atoms | 28 |
| Complexity | 663.0 |
Chemical Identifiers
| CAS Number | 958950-32-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H](C2=O)C4CCCN4[C@@H]3C(=O)C5=CC=CC=C5 |
| InChIKey | OMZRRIFLLAJNSQ-YGFFAISXSA-N |
Product Overview
(3aR,4S,8bS)-2-(4-methylphenyl)-4-(phenylcarbonyl)hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione (CAS 958950-32-8), with molecular formula C23H22N2O3 and molecular weight 374.16 g/mol. IUPAC: (3aR,4S,8bS)-4-benzoyl-2-(4-methylphenyl)-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizine-1,3-dione.
Chemical Property Profile of (3aR,4S,8bS)-2-(4-methylphenyl)-4-(phenylcarbonyl)hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione
Property Insights of (3aR,4S,8bS)-2-(4-methylphenyl)-4-(phenylcarbonyl)hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3aR,4S,8bS)-2-(4-methylphenyl)-4-(phenylcarbonyl)hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione. With a topological polar surface area (TPSA) of 57.7 Ų, (3aR,4S,8bS)-2-(4-methylphenyl)-4-(phenylcarbonyl)hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3aR,4S,8bS)-2-(4-methylphenyl)-4-(phenylcarbonyl)hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione has 0 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 (3aR,4S,8bS)-2-(4-methylphenyl)-4-(phenylcarbonyl)hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione?
The CAS number of (3aR,4S,8bS)-2-(4-methylphenyl)-4-(phenylcarbonyl)hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione is 958950-32-8.
What is the molecular formula of (3aR,4S,8bS)-2-(4-methylphenyl)-4-(phenylcarbonyl)hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione?
The molecular formula of (3aR,4S,8bS)-2-(4-methylphenyl)-4-(phenylcarbonyl)hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione is C23H22N2O3.
What is the molecular weight of (3aR,4S,8bS)-2-(4-methylphenyl)-4-(phenylcarbonyl)hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione?
The molecular weight of (3aR,4S,8bS)-2-(4-methylphenyl)-4-(phenylcarbonyl)hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione is 374.16 g/mol.
Where can I buy (3aR,4S,8bS)-2-(4-methylphenyl)-4-(phenylcarbonyl)hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione?
You can request a quote for (3aR,4S,8bS)-2-(4-methylphenyl)-4-(phenylcarbonyl)hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3aR,4S,8bS)-2-(4-methylphenyl)-4-(phenylcarbonyl)hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (3aR,4S,8bS)-2-(4-methylphenyl)-4-(phenylcarbonyl)hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.