2-Pyrrolidinone, 1-(p-hydroxyphenyl)-, acetate (ester)
TL;DR: 2-Pyrrolidinone, 1-(p-hydroxyphenyl)-, acetate (ester) (CAS 14053-16-8) is a chemical compound with molecular formula C12H13NO3 and molecular weight 219.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2-oxopyrrolidin-1-yl)phenyl] acetate
Also Known As: 1-(p-Hydroxyphenyl)-2-pyrrolidinone acetate, [4-(2-oxopyrrolidin-1-yl)phenyl] acetate, 1-(p-Acetyloxyphenyl)-2-pyrrolidone, 2-Pyrrolidinone, 1-(p-hydroxyphenyl)-, acetate (ester), 4-21-00-03155 (Beilstein Handbook Reference)
| Molecular Formula | C12H13NO3 |
|---|---|
| Molecular Weight | 219.09 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.08954 |
| Heavy Atoms | 16 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 14053-16-8 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)N2CCCC2=O |
| InChIKey | FPQOGNXITGCHBL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Pyrrolidinone, 1-(p-hydroxyphenyl)-, acetate (ester) (CAS 14053-16-8), with molecular formula C12H13NO3 and molecular weight 219.09 g/mol. IUPAC: [4-(2-oxopyrrolidin-1-yl)phenyl] acetate.
Chemical Property Profile of 2-Pyrrolidinone, 1-(p-hydroxyphenyl)-, acetate (ester)
Property Insights of 2-Pyrrolidinone, 1-(p-hydroxyphenyl)-, acetate (ester)
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pyrrolidinone, 1-(p-hydroxyphenyl)-, acetate (ester). With a topological polar surface area (TPSA) of 46.6 Ų, 2-Pyrrolidinone, 1-(p-hydroxyphenyl)-, acetate (ester) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pyrrolidinone, 1-(p-hydroxyphenyl)-, acetate (ester) has 0 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 2-Pyrrolidinone, 1-(p-hydroxyphenyl)-, acetate (ester)?
The CAS number of 2-Pyrrolidinone, 1-(p-hydroxyphenyl)-, acetate (ester) is 14053-16-8.
What is the molecular formula of 2-Pyrrolidinone, 1-(p-hydroxyphenyl)-, acetate (ester)?
The molecular formula of 2-Pyrrolidinone, 1-(p-hydroxyphenyl)-, acetate (ester) is C12H13NO3.
What is the molecular weight of 2-Pyrrolidinone, 1-(p-hydroxyphenyl)-, acetate (ester)?
The molecular weight of 2-Pyrrolidinone, 1-(p-hydroxyphenyl)-, acetate (ester) is 219.09 g/mol.
Where can I buy 2-Pyrrolidinone, 1-(p-hydroxyphenyl)-, acetate (ester)?
You can request a quote for 2-Pyrrolidinone, 1-(p-hydroxyphenyl)-, acetate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pyrrolidinone, 1-(p-hydroxyphenyl)-, acetate (ester)?
Yes, KEHONG BIO provides custom synthesis services for 2-Pyrrolidinone, 1-(p-hydroxyphenyl)-, acetate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.