N-(3-methoxyphenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
TL;DR: N-(3-methoxyphenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine (CAS 305341-58-6) is a chemical compound with molecular formula C13H18N2O and molecular weight 218.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-methoxyphenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
Also Known As: N-(3-methoxyphenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine, N-(3-methoxyphenyl)-4,5,6,7-tetrahydro-3H-azepin-2-amine, 873-614-7, RefChem:826649
| Molecular Formula | C13H18N2O |
|---|---|
| Molecular Weight | 218.14 g/mol |
| LogP | 3.0796 |
| Topological Polar Surface Area | 33.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.1419 |
| Heavy Atoms | 16 |
| Complexity | 373.9503 |
Chemical Identifiers
| CAS Number | 305341-58-6 |
|---|---|
| SMILES | COC1=CC=CC(=C1)NC2=NCCCCC2 |
Product Overview
N-(3-methoxyphenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine (CAS 305341-58-6), with molecular formula C13H18N2O and molecular weight 218.14 g/mol. IUPAC: N-(3-methoxyphenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine.
Chemical Property Profile of N-(3-methoxyphenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
Property Insights of N-(3-methoxyphenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
The XLogP value of 3.0796 indicates that N-(3-methoxyphenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.62 Ų, N-(3-methoxyphenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-methoxyphenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine has 1 hydrogen bond donor(s) and 3 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-(3-methoxyphenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The CAS number of N-(3-methoxyphenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine is 305341-58-6.
What is the molecular formula of N-(3-methoxyphenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The molecular formula of N-(3-methoxyphenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine is C13H18N2O.
What is the molecular weight of N-(3-methoxyphenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The molecular weight of N-(3-methoxyphenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine is 218.14 g/mol.
Where can I buy N-(3-methoxyphenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
You can request a quote for N-(3-methoxyphenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-methoxyphenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(3-methoxyphenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.