(1-Methylpyrrolidin-3-yl) 2-hydroxy-2,2-diphenyl-acetate
TL;DR: (1-Methylpyrrolidin-3-yl) 2-hydroxy-2,2-diphenyl-acetate (CAS 3608-68-2) is a chemical compound with molecular formula C19H21NO3 and molecular weight 311.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylpyrrolidin-3-yl) 2-hydroxy-2,2-diphenylacetate
Also Known As: (1-methylpyrrolidin-3-yl) 2-hydroxy-2,2-diphenyl-acetate, 1-Methylpyrrolidin-3-yl hydroxy(diphenyl)acetate, (1-methylpyrrolidin-3-yl) 2-hydroxy-2,2-diphenylacetate, 1-Methyl-3-pyrrolidinyl I+/--hydroxy-I+/--phenylbenzeneacetate
| Molecular Formula | C19H21NO3 |
|---|---|
| Molecular Weight | 311.15 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.15213 |
| Heavy Atoms | 23 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 3608-68-2 |
|---|---|
| SMILES | CN1CCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O |
| InChIKey | YIYNRMJWZJVPOO-UHFFFAOYSA-N |
Product Overview
(1-Methylpyrrolidin-3-yl) 2-hydroxy-2,2-diphenyl-acetate (CAS 3608-68-2), with molecular formula C19H21NO3 and molecular weight 311.15 g/mol. IUPAC: (1-methylpyrrolidin-3-yl) 2-hydroxy-2,2-diphenylacetate.
Chemical Property Profile of (1-Methylpyrrolidin-3-yl) 2-hydroxy-2,2-diphenyl-acetate
Property Insights of (1-Methylpyrrolidin-3-yl) 2-hydroxy-2,2-diphenyl-acetate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-Methylpyrrolidin-3-yl) 2-hydroxy-2,2-diphenyl-acetate. With a topological polar surface area (TPSA) of 49.8 Ų, (1-Methylpyrrolidin-3-yl) 2-hydroxy-2,2-diphenyl-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-Methylpyrrolidin-3-yl) 2-hydroxy-2,2-diphenyl-acetate 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 (1-Methylpyrrolidin-3-yl) 2-hydroxy-2,2-diphenyl-acetate?
The CAS number of (1-Methylpyrrolidin-3-yl) 2-hydroxy-2,2-diphenyl-acetate is 3608-68-2.
What is the molecular formula of (1-Methylpyrrolidin-3-yl) 2-hydroxy-2,2-diphenyl-acetate?
The molecular formula of (1-Methylpyrrolidin-3-yl) 2-hydroxy-2,2-diphenyl-acetate is C19H21NO3.
What is the molecular weight of (1-Methylpyrrolidin-3-yl) 2-hydroxy-2,2-diphenyl-acetate?
The molecular weight of (1-Methylpyrrolidin-3-yl) 2-hydroxy-2,2-diphenyl-acetate is 311.15 g/mol.
Where can I buy (1-Methylpyrrolidin-3-yl) 2-hydroxy-2,2-diphenyl-acetate?
You can request a quote for (1-Methylpyrrolidin-3-yl) 2-hydroxy-2,2-diphenyl-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-Methylpyrrolidin-3-yl) 2-hydroxy-2,2-diphenyl-acetate?
Yes, KEHONG BIO provides custom synthesis services for (1-Methylpyrrolidin-3-yl) 2-hydroxy-2,2-diphenyl-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.