2-(Pyrrolidin-1-ylmethyl)azepane
TL;DR: 2-(Pyrrolidin-1-ylmethyl)azepane (CAS 112282-41-4) is a chemical compound with molecular formula C11H22N2 and molecular weight 182.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(pyrrolidin-1-ylmethyl)azepane
Also Known As: 2-(pyrrolidin-1-ylmethyl)azepane, 2-[(pyrrolidin-1-yl)methyl]azepane, 2-(1-PYRROLIDINYLMETHYL)AZEPANE, 8-benzyloxy-5-oxiranyl-quinolin-2-one, Hexahydro-2-(1-pyrrolidinylmethyl)-1H-azepine
| Molecular Formula | C11H22N2 |
|---|---|
| Molecular Weight | 182.18 g/mol |
| LogP | 1.6144 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.1783 |
| Heavy Atoms | 13 |
| Complexity | 133.02571 |
Chemical Identifiers
| CAS Number | 112282-41-4 |
|---|---|
| SMILES | C1CCC(NCC1)CN2CCCC2 |
Product Overview
2-(Pyrrolidin-1-ylmethyl)azepane (CAS 112282-41-4), with molecular formula C11H22N2 and molecular weight 182.18 g/mol. IUPAC: 2-(pyrrolidin-1-ylmethyl)azepane.
Chemical Property Profile of 2-(Pyrrolidin-1-ylmethyl)azepane
Property Insights of 2-(Pyrrolidin-1-ylmethyl)azepane
The XLogP value of 1.6144 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Pyrrolidin-1-ylmethyl)azepane. With a topological polar surface area (TPSA) of 15.27 Ų, 2-(Pyrrolidin-1-ylmethyl)azepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Pyrrolidin-1-ylmethyl)azepane 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 2-(Pyrrolidin-1-ylmethyl)azepane?
The CAS number of 2-(Pyrrolidin-1-ylmethyl)azepane is 112282-41-4.
What is the molecular formula of 2-(Pyrrolidin-1-ylmethyl)azepane?
The molecular formula of 2-(Pyrrolidin-1-ylmethyl)azepane is C11H22N2.
What is the molecular weight of 2-(Pyrrolidin-1-ylmethyl)azepane?
The molecular weight of 2-(Pyrrolidin-1-ylmethyl)azepane is 182.18 g/mol.
Where can I buy 2-(Pyrrolidin-1-ylmethyl)azepane?
You can request a quote for 2-(Pyrrolidin-1-ylmethyl)azepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Pyrrolidin-1-ylmethyl)azepane?
Yes, KEHONG BIO provides custom synthesis services for 2-(Pyrrolidin-1-ylmethyl)azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.