1-(2-(Hydroxymethyl)pyrrolidin-1-yl)ethan-1-one
TL;DR: 1-(2-(Hydroxymethyl)pyrrolidin-1-yl)ethan-1-one (CAS 123958-87-2) is a chemical compound with molecular formula C7H13NO2 and molecular weight 143.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
Also Known As: 1-(2-(Hydroxymethyl)pyrrolidin-1-yl)ethanone, 1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethan-1-one, 1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone, 1-(2-Hydroxymethyl-pyrrolidin-1-yl)-ethanone, 1-(2-Hydroxymethylpyrrolidin-1-yl)ethanone
| Molecular Formula | C7H13NO2 |
|---|---|
| Molecular Weight | 143.09 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 143.09464 |
| Heavy Atoms | 10 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 123958-87-2 |
|---|---|
| SMILES | CC(=O)N1CCCC1CO |
| InChIKey | VQNVOVAHJAHGQP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2-(Hydroxymethyl)pyrrolidin-1-yl)ethan-1-one (CAS 123958-87-2), with molecular formula C7H13NO2 and molecular weight 143.09 g/mol. IUPAC: 1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone.
Chemical Property Profile of 1-(2-(Hydroxymethyl)pyrrolidin-1-yl)ethan-1-one
Property Insights of 1-(2-(Hydroxymethyl)pyrrolidin-1-yl)ethan-1-one
The XLogP value of -0.4 indicates that 1-(2-(Hydroxymethyl)pyrrolidin-1-yl)ethan-1-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.5 Ų, 1-(2-(Hydroxymethyl)pyrrolidin-1-yl)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-(Hydroxymethyl)pyrrolidin-1-yl)ethan-1-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-(2-(Hydroxymethyl)pyrrolidin-1-yl)ethan-1-one?
The CAS number of 1-(2-(Hydroxymethyl)pyrrolidin-1-yl)ethan-1-one is 123958-87-2.
What is the molecular formula of 1-(2-(Hydroxymethyl)pyrrolidin-1-yl)ethan-1-one?
The molecular formula of 1-(2-(Hydroxymethyl)pyrrolidin-1-yl)ethan-1-one is C7H13NO2.
What is the molecular weight of 1-(2-(Hydroxymethyl)pyrrolidin-1-yl)ethan-1-one?
The molecular weight of 1-(2-(Hydroxymethyl)pyrrolidin-1-yl)ethan-1-one is 143.09 g/mol.
Where can I buy 1-(2-(Hydroxymethyl)pyrrolidin-1-yl)ethan-1-one?
You can request a quote for 1-(2-(Hydroxymethyl)pyrrolidin-1-yl)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-(Hydroxymethyl)pyrrolidin-1-yl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-(Hydroxymethyl)pyrrolidin-1-yl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.