![2-[(3aR)-1-acetyl-3a-methyl-5-oxooctahydropyrrolo[2,3-b]pyrrol-2-yl]phenyl 5-methyl-3-isoxazolecarboxylate structure](/static/products/956/956943-46-7.png)
2-[(3aR)-1-acetyl-3a-methyl-5-oxooctahydropyrrolo[2,3-b]pyrrol-2-yl]phenyl 5-methyl-3-isoxazolecarboxylate
TL;DR: 2-[(3aR)-1-acetyl-3a-methyl-5-oxooctahydropyrrolo[2,3-b]pyrrol-2-yl]phenyl 5-methyl-3-isoxazolecarboxylate (CAS 956943-46-7) is a chemical compound with molecular formula C20H21N3O5 and molecular weight 383.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(1-acetyl-3a-methyl-5-oxo-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-2-yl)phenyl] 5-methyl-1,2-oxazole-3-carboxylate
Also Known As: 2-[(3aR)-1-acetyl-3a-methyl-5-oxooctahydropyrrolo[2,3-b]pyrrol-2-yl]phenyl 5-methyl-3-isoxazolecarboxylate, 2-{1-acetyl-3a-methyl-5-oxo-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-2-yl}phenyl 5-methyl-1,2-oxazole-3-carboxylate, [2-(1-acetyl-3a-methyl-5-oxo-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-2-yl)phenyl] 5-methyl-1,2-oxazole-3-carboxylate
| Molecular Formula | C20H21N3O5 |
|---|---|
| Molecular Weight | 383.15 g/mol |
| LogP | 2.34782 |
| Topological Polar Surface Area | 101.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 383.14813 |
| Heavy Atoms | 28 |
| Complexity | 968.2557 |
Chemical Identifiers
| CAS Number | 956943-46-7 |
|---|---|
| SMILES | CC1=CC(=NO1)C(=O)OC2=CC=CC=C2C3CC4(CC(=O)NC4N3C(=O)C)C |
Product Overview
2-[(3aR)-1-acetyl-3a-methyl-5-oxooctahydropyrrolo[2,3-b]pyrrol-2-yl]phenyl 5-methyl-3-isoxazolecarboxylate (CAS 956943-46-7), with molecular formula C20H21N3O5 and molecular weight 383.15 g/mol. IUPAC: [2-(1-acetyl-3a-methyl-5-oxo-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-2-yl)phenyl] 5-methyl-1,2-oxazole-3-carboxylate.
Chemical Property Profile of 2-[(3aR)-1-acetyl-3a-methyl-5-oxooctahydropyrrolo[2,3-b]pyrrol-2-yl]phenyl 5-methyl-3-isoxazolecarboxylate
Property Insights of 2-[(3aR)-1-acetyl-3a-methyl-5-oxooctahydropyrrolo[2,3-b]pyrrol-2-yl]phenyl 5-methyl-3-isoxazolecarboxylate
The XLogP value of 2.34782 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3aR)-1-acetyl-3a-methyl-5-oxooctahydropyrrolo[2,3-b]pyrrol-2-yl]phenyl 5-methyl-3-isoxazolecarboxylate. The TPSA of 101.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3aR)-1-acetyl-3a-methyl-5-oxooctahydropyrrolo[2,3-b]pyrrol-2-yl]phenyl 5-methyl-3-isoxazolecarboxylate. Following Lipinski's Rule of Five, 2-[(3aR)-1-acetyl-3a-methyl-5-oxooctahydropyrrolo[2,3-b]pyrrol-2-yl]phenyl 5-methyl-3-isoxazolecarboxylate 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-[(3aR)-1-acetyl-3a-methyl-5-oxooctahydropyrrolo[2,3-b]pyrrol-2-yl]phenyl 5-methyl-3-isoxazolecarboxylate?
The CAS number of 2-[(3aR)-1-acetyl-3a-methyl-5-oxooctahydropyrrolo[2,3-b]pyrrol-2-yl]phenyl 5-methyl-3-isoxazolecarboxylate is 956943-46-7.
What is the molecular formula of 2-[(3aR)-1-acetyl-3a-methyl-5-oxooctahydropyrrolo[2,3-b]pyrrol-2-yl]phenyl 5-methyl-3-isoxazolecarboxylate?
The molecular formula of 2-[(3aR)-1-acetyl-3a-methyl-5-oxooctahydropyrrolo[2,3-b]pyrrol-2-yl]phenyl 5-methyl-3-isoxazolecarboxylate is C20H21N3O5.
What is the molecular weight of 2-[(3aR)-1-acetyl-3a-methyl-5-oxooctahydropyrrolo[2,3-b]pyrrol-2-yl]phenyl 5-methyl-3-isoxazolecarboxylate?
The molecular weight of 2-[(3aR)-1-acetyl-3a-methyl-5-oxooctahydropyrrolo[2,3-b]pyrrol-2-yl]phenyl 5-methyl-3-isoxazolecarboxylate is 383.15 g/mol.
Where can I buy 2-[(3aR)-1-acetyl-3a-methyl-5-oxooctahydropyrrolo[2,3-b]pyrrol-2-yl]phenyl 5-methyl-3-isoxazolecarboxylate?
You can request a quote for 2-[(3aR)-1-acetyl-3a-methyl-5-oxooctahydropyrrolo[2,3-b]pyrrol-2-yl]phenyl 5-methyl-3-isoxazolecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3aR)-1-acetyl-3a-methyl-5-oxooctahydropyrrolo[2,3-b]pyrrol-2-yl]phenyl 5-methyl-3-isoxazolecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3aR)-1-acetyl-3a-methyl-5-oxooctahydropyrrolo[2,3-b]pyrrol-2-yl]phenyl 5-methyl-3-isoxazolecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.