3-(Pyrrolidin-1-yl)azepan-2-one
TL;DR: 3-(Pyrrolidin-1-yl)azepan-2-one (CAS 144243-37-8) is a chemical compound with molecular formula C10H18N2O and molecular weight 182.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-pyrrolidin-1-ylazepan-2-one
Also Known As: 3-(pyrrolidin-1-yl)azepan-2-one, 3-pyrrolidin-1-ylazepan-2-one, 3-(1-Pyrrolidinyl)-2-azepanone, 3-(1-Pyrrolidinyl)-2-azepanone #, Azacycloheptan-2-one, 3-[1-pyrrolidyl]-
| Molecular Formula | C10H18N2O |
|---|---|
| Molecular Weight | 182.14 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 182.1419 |
| Heavy Atoms | 13 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 144243-37-8 |
|---|---|
| SMILES | C1CCNC(=O)C(C1)N2CCCC2 |
| InChIKey | QXHLFEWVURXKCP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Pyrrolidin-1-yl)azepan-2-one (CAS 144243-37-8), with molecular formula C10H18N2O and molecular weight 182.14 g/mol. IUPAC: 3-pyrrolidin-1-ylazepan-2-one.
Chemical Property Profile of 3-(Pyrrolidin-1-yl)azepan-2-one
Property Insights of 3-(Pyrrolidin-1-yl)azepan-2-one
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Pyrrolidin-1-yl)azepan-2-one. With a topological polar surface area (TPSA) of 32.3 Ų, 3-(Pyrrolidin-1-yl)azepan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Pyrrolidin-1-yl)azepan-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 3-(Pyrrolidin-1-yl)azepan-2-one?
The CAS number of 3-(Pyrrolidin-1-yl)azepan-2-one is 144243-37-8.
What is the molecular formula of 3-(Pyrrolidin-1-yl)azepan-2-one?
The molecular formula of 3-(Pyrrolidin-1-yl)azepan-2-one is C10H18N2O.
What is the molecular weight of 3-(Pyrrolidin-1-yl)azepan-2-one?
The molecular weight of 3-(Pyrrolidin-1-yl)azepan-2-one is 182.14 g/mol.
Where can I buy 3-(Pyrrolidin-1-yl)azepan-2-one?
You can request a quote for 3-(Pyrrolidin-1-yl)azepan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Pyrrolidin-1-yl)azepan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(Pyrrolidin-1-yl)azepan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.