吡咯戊酮
TL;DR: 吡咯戊酮 (CAS 3563-49-3) is a chemical compound with molecular formula C16H23NO and molecular weight 245.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
吡咯戊酮
1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one
Also Known As: PYROVALERONE, Pirovalerona, Pyrovaleronum, Centroton, Thymergix
| Molecular Formula | C16H23NO |
|---|---|
| Molecular Weight | 245.18 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 245.17796 |
| Heavy Atoms | 18 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 3563-49-3 |
|---|---|
| SMILES | CCCC(C(=O)C1=CC=C(C=C1)C)N2CCCC2 |
| InChIKey | SWUVZKWCOBGPTH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
吡咯戊酮 (CAS 3563-49-3), with molecular formula C16H23NO and molecular weight 245.18 g/mol. IUPAC: 1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one.
Chemical Property Profile of 吡咯戊酮
Property Insights of 吡咯戊酮
The XLogP value of 3.8 indicates that 吡咯戊酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, 吡咯戊酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 吡咯戊酮 has 0 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 吡咯戊酮?
The CAS number of 吡咯戊酮 is 3563-49-3.
What is the molecular formula of 吡咯戊酮?
The molecular formula of 吡咯戊酮 is C16H23NO.
What is the molecular weight of 吡咯戊酮?
The molecular weight of 吡咯戊酮 is 245.18 g/mol.
Where can I buy 吡咯戊酮?
You can request a quote for 吡咯戊酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 吡咯戊酮?
Yes, KEHONG BIO provides custom synthesis services for 吡咯戊酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.