N-(azepan-1-yl)-1-(2,4-dichlorophenyl)methanimine
TL;DR: N-(azepan-1-yl)-1-(2,4-dichlorophenyl)methanimine (CAS 16987-40-9) is a chemical compound with molecular formula C13H16Cl2N2 and molecular weight 270.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(azepan-1-yl)-1-(2,4-dichlorophenyl)methanimine
Also Known As: NCIOpen2_004194, N-(azepan-1-yl)-1-(2,4-dichlorophenyl)methanimine, N-(1-Azepanyl)-N-(2,4-dichlorobenzylidene)amine
| Molecular Formula | C13H16Cl2N2 |
|---|---|
| Molecular Weight | 270.07 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 15.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.06906 |
| Heavy Atoms | 17 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 16987-40-9 |
|---|---|
| SMILES | C1CCCN(CC1)N=CC2=C(C=C(C=C2)Cl)Cl |
| InChIKey | WYMKISIWQJPKOC-UHFFFAOYSA-N |
Product Overview
N-(azepan-1-yl)-1-(2,4-dichlorophenyl)methanimine (CAS 16987-40-9), with molecular formula C13H16Cl2N2 and molecular weight 270.07 g/mol. IUPAC: N-(azepan-1-yl)-1-(2,4-dichlorophenyl)methanimine.
Chemical Property Profile of N-(azepan-1-yl)-1-(2,4-dichlorophenyl)methanimine
Property Insights of N-(azepan-1-yl)-1-(2,4-dichlorophenyl)methanimine
The XLogP value of 4.6 indicates that N-(azepan-1-yl)-1-(2,4-dichlorophenyl)methanimine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.6 Ų, N-(azepan-1-yl)-1-(2,4-dichlorophenyl)methanimine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(azepan-1-yl)-1-(2,4-dichlorophenyl)methanimine 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 N-(azepan-1-yl)-1-(2,4-dichlorophenyl)methanimine?
The CAS number of N-(azepan-1-yl)-1-(2,4-dichlorophenyl)methanimine is 16987-40-9.
What is the molecular formula of N-(azepan-1-yl)-1-(2,4-dichlorophenyl)methanimine?
The molecular formula of N-(azepan-1-yl)-1-(2,4-dichlorophenyl)methanimine is C13H16Cl2N2.
What is the molecular weight of N-(azepan-1-yl)-1-(2,4-dichlorophenyl)methanimine?
The molecular weight of N-(azepan-1-yl)-1-(2,4-dichlorophenyl)methanimine is 270.07 g/mol.
Where can I buy N-(azepan-1-yl)-1-(2,4-dichlorophenyl)methanimine?
You can request a quote for N-(azepan-1-yl)-1-(2,4-dichlorophenyl)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-(2,4-dichlorophenyl)methanimine?
Yes, KEHONG BIO provides custom synthesis services for N-(azepan-1-yl)-1-(2,4-dichlorophenyl)methanimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.