1-Benzyl-4-(hydroxymethyl)pyrrolidin-2-one
TL;DR: 1-Benzyl-4-(hydroxymethyl)pyrrolidin-2-one (CAS 96449-69-3) is a chemical compound with molecular formula C12H15NO2 and molecular weight 205.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-4-(hydroxymethyl)pyrrolidin-2-one
Also Known As: 1-benzyl-4-(hydroxymethyl)pyrrolidin-2-one, 4-(Hydroxymethyl)-1-benzylpyrrolidin-2-one, Web 1868, 2-Pyrrolidinone, 4-(hydroxymethyl)-1-(phenylmethyl)-, 1-Benzyl-4-(hydroxymethyl)-2-pyrrolidone
| Molecular Formula | C12H15NO2 |
|---|---|
| Molecular Weight | 205.11 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 205.11028 |
| Heavy Atoms | 15 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 96449-69-3 |
|---|---|
| SMILES | C1C(CN(C1=O)CC2=CC=CC=C2)CO |
| InChIKey | KJNWTBGLUKBKME-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Benzyl-4-(hydroxymethyl)pyrrolidin-2-one (CAS 96449-69-3), with molecular formula C12H15NO2 and molecular weight 205.11 g/mol. IUPAC: 1-benzyl-4-(hydroxymethyl)pyrrolidin-2-one.
Chemical Property Profile of 1-Benzyl-4-(hydroxymethyl)pyrrolidin-2-one
Property Insights of 1-Benzyl-4-(hydroxymethyl)pyrrolidin-2-one
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-4-(hydroxymethyl)pyrrolidin-2-one. With a topological polar surface area (TPSA) of 40.5 Ų, 1-Benzyl-4-(hydroxymethyl)pyrrolidin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-4-(hydroxymethyl)pyrrolidin-2-one has 1 hydrogen bond donor(s) and 2 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-Benzyl-4-(hydroxymethyl)pyrrolidin-2-one?
The CAS number of 1-Benzyl-4-(hydroxymethyl)pyrrolidin-2-one is 96449-69-3.
What is the molecular formula of 1-Benzyl-4-(hydroxymethyl)pyrrolidin-2-one?
The molecular formula of 1-Benzyl-4-(hydroxymethyl)pyrrolidin-2-one is C12H15NO2.
What is the molecular weight of 1-Benzyl-4-(hydroxymethyl)pyrrolidin-2-one?
The molecular weight of 1-Benzyl-4-(hydroxymethyl)pyrrolidin-2-one is 205.11 g/mol.
Where can I buy 1-Benzyl-4-(hydroxymethyl)pyrrolidin-2-one?
You can request a quote for 1-Benzyl-4-(hydroxymethyl)pyrrolidin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-4-(hydroxymethyl)pyrrolidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-4-(hydroxymethyl)pyrrolidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.