![(3aR)-6-acetyl-5-(2-hydroxyphenyl)-3a-methylhexahydropyrrolo[2,3-b]pyrrol-2(1H)-one structure](/static/products/957/957013-84-2.png)
(3aR)-6-acetyl-5-(2-hydroxyphenyl)-3a-methylhexahydropyrrolo[2,3-b]pyrrol-2(1H)-one
TL;DR: (3aR)-6-acetyl-5-(2-hydroxyphenyl)-3a-methylhexahydropyrrolo[2,3-b]pyrrol-2(1H)-one (CAS 957013-84-2) is a chemical compound with molecular formula C15H18N2O3 and molecular weight 274.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-acetyl-2-(2-hydroxyphenyl)-3a-methyl-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-5-one
Also Known As: (3aR)-6-acetyl-5-(2-hydroxyphenyl)-3a-methylhexahydropyrrolo[2,3-b]pyrrol-2(1H)-one, 1-acetyl-2-(2-hydroxyphenyl)-3a-methyl-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-5-one
| Molecular Formula | C15H18N2O3 |
|---|---|
| Molecular Weight | 274.13 g/mol |
| LogP | 1.5378 |
| Topological Polar Surface Area | 69.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 274.13174 |
| Heavy Atoms | 20 |
| Complexity | 586.23627 |
Chemical Identifiers
| CAS Number | 957013-84-2 |
|---|---|
| SMILES | CC(=O)N1C(CC2(C1NC(=O)C2)C)C3=CC=CC=C3O |
Product Overview
(3aR)-6-acetyl-5-(2-hydroxyphenyl)-3a-methylhexahydropyrrolo[2,3-b]pyrrol-2(1H)-one (CAS 957013-84-2), with molecular formula C15H18N2O3 and molecular weight 274.13 g/mol. IUPAC: 1-acetyl-2-(2-hydroxyphenyl)-3a-methyl-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-5-one.
Chemical Property Profile of (3aR)-6-acetyl-5-(2-hydroxyphenyl)-3a-methylhexahydropyrrolo[2,3-b]pyrrol-2(1H)-one
Property Insights of (3aR)-6-acetyl-5-(2-hydroxyphenyl)-3a-methylhexahydropyrrolo[2,3-b]pyrrol-2(1H)-one
The XLogP value of 1.5378 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3aR)-6-acetyl-5-(2-hydroxyphenyl)-3a-methylhexahydropyrrolo[2,3-b]pyrrol-2(1H)-one. The TPSA of 69.64 Ų falls within the moderate polarity range, balancing permeability and solubility for (3aR)-6-acetyl-5-(2-hydroxyphenyl)-3a-methylhexahydropyrrolo[2,3-b]pyrrol-2(1H)-one. Following Lipinski's Rule of Five, (3aR)-6-acetyl-5-(2-hydroxyphenyl)-3a-methylhexahydropyrrolo[2,3-b]pyrrol-2(1H)-one has 2 hydrogen bond donor(s) and 3 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)-6-acetyl-5-(2-hydroxyphenyl)-3a-methylhexahydropyrrolo[2,3-b]pyrrol-2(1H)-one?
The CAS number of (3aR)-6-acetyl-5-(2-hydroxyphenyl)-3a-methylhexahydropyrrolo[2,3-b]pyrrol-2(1H)-one is 957013-84-2.
What is the molecular formula of (3aR)-6-acetyl-5-(2-hydroxyphenyl)-3a-methylhexahydropyrrolo[2,3-b]pyrrol-2(1H)-one?
The molecular formula of (3aR)-6-acetyl-5-(2-hydroxyphenyl)-3a-methylhexahydropyrrolo[2,3-b]pyrrol-2(1H)-one is C15H18N2O3.
What is the molecular weight of (3aR)-6-acetyl-5-(2-hydroxyphenyl)-3a-methylhexahydropyrrolo[2,3-b]pyrrol-2(1H)-one?
The molecular weight of (3aR)-6-acetyl-5-(2-hydroxyphenyl)-3a-methylhexahydropyrrolo[2,3-b]pyrrol-2(1H)-one is 274.13 g/mol.
Where can I buy (3aR)-6-acetyl-5-(2-hydroxyphenyl)-3a-methylhexahydropyrrolo[2,3-b]pyrrol-2(1H)-one?
You can request a quote for (3aR)-6-acetyl-5-(2-hydroxyphenyl)-3a-methylhexahydropyrrolo[2,3-b]pyrrol-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3aR)-6-acetyl-5-(2-hydroxyphenyl)-3a-methylhexahydropyrrolo[2,3-b]pyrrol-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for (3aR)-6-acetyl-5-(2-hydroxyphenyl)-3a-methylhexahydropyrrolo[2,3-b]pyrrol-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.