N-(Azepan-1-yl)-1-(2H-1,3-benzodioxol-5-yl)methanimine
TL;DR: N-(Azepan-1-yl)-1-(2H-1,3-benzodioxol-5-yl)methanimine (CAS 16987-38-5) is a chemical compound with molecular formula C14H18N2O2 and molecular weight 246.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(azepan-1-yl)-1-(1,3-benzodioxol-5-yl)methanimine
Also Known As: NCIOpen2_004272, N-(Azepan-1-yl)-1-(2H-1,3-benzodioxol-5-yl)methanimine, N-(azepan-1-yl)-1-(1,3-benzodioxol-5-yl)methanimine
| Molecular Formula | C14H18N2O2 |
|---|---|
| Molecular Weight | 246.14 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.13683 |
| Heavy Atoms | 18 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 16987-38-5 |
|---|---|
| SMILES | C1CCCN(CC1)N=CC2=CC3=C(C=C2)OCO3 |
| InChIKey | GGASDOOVSNFRKJ-UHFFFAOYSA-N |
Product Overview
N-(Azepan-1-yl)-1-(2H-1,3-benzodioxol-5-yl)methanimine (CAS 16987-38-5), with molecular formula C14H18N2O2 and molecular weight 246.14 g/mol. IUPAC: N-(azepan-1-yl)-1-(1,3-benzodioxol-5-yl)methanimine.
Chemical Property Profile of N-(Azepan-1-yl)-1-(2H-1,3-benzodioxol-5-yl)methanimine
Property Insights of N-(Azepan-1-yl)-1-(2H-1,3-benzodioxol-5-yl)methanimine
The XLogP value of 3.0 indicates that N-(Azepan-1-yl)-1-(2H-1,3-benzodioxol-5-yl)methanimine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, N-(Azepan-1-yl)-1-(2H-1,3-benzodioxol-5-yl)methanimine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(Azepan-1-yl)-1-(2H-1,3-benzodioxol-5-yl)methanimine has 0 hydrogen bond donor(s) and 4 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 N-(Azepan-1-yl)-1-(2H-1,3-benzodioxol-5-yl)methanimine?
The CAS number of N-(Azepan-1-yl)-1-(2H-1,3-benzodioxol-5-yl)methanimine is 16987-38-5.
What is the molecular formula of N-(Azepan-1-yl)-1-(2H-1,3-benzodioxol-5-yl)methanimine?
The molecular formula of N-(Azepan-1-yl)-1-(2H-1,3-benzodioxol-5-yl)methanimine is C14H18N2O2.
What is the molecular weight of N-(Azepan-1-yl)-1-(2H-1,3-benzodioxol-5-yl)methanimine?
The molecular weight of N-(Azepan-1-yl)-1-(2H-1,3-benzodioxol-5-yl)methanimine is 246.14 g/mol.
Where can I buy N-(Azepan-1-yl)-1-(2H-1,3-benzodioxol-5-yl)methanimine?
You can request a quote for N-(Azepan-1-yl)-1-(2H-1,3-benzodioxol-5-yl)methanimine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(Azepan-1-yl)-1-(2H-1,3-benzodioxol-5-yl)methanimine?
Yes, KEHONG BIO provides custom synthesis services for N-(Azepan-1-yl)-1-(2H-1,3-benzodioxol-5-yl)methanimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.