N-(2,4,5-trimethoxybenzyl)cycloheptanamine
TL;DR: N-(2,4,5-trimethoxybenzyl)cycloheptanamine (CAS 418778-25-3) is a chemical compound with molecular formula C17H27NO3 and molecular weight 293.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2,4,5-trimethoxyphenyl)methyl]cycloheptanamine
Also Known As: N-(2,4,5-trimethoxybenzyl)cycloheptanamine, N-[(2,4,5-trimethoxyphenyl)methyl]cycloheptanamine, CHEMBRDG-BB 5545416, BAS 03049807, cycloheptyl-(2,4,5-trimethoxybenzyl)amine
| Molecular Formula | C17H27NO3 |
|---|---|
| Molecular Weight | 293.20 g/mol |
| LogP | 3.5248 |
| Topological Polar Surface Area | 39.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 293.1991 |
| Heavy Atoms | 21 |
| Complexity | 439.90652 |
Chemical Identifiers
| CAS Number | 418778-25-3 |
|---|---|
| SMILES | COC1=CC(=C(C=C1CNC2CCCCCC2)OC)OC |
Product Overview
N-(2,4,5-trimethoxybenzyl)cycloheptanamine (CAS 418778-25-3), with molecular formula C17H27NO3 and molecular weight 293.20 g/mol. IUPAC: N-[(2,4,5-trimethoxyphenyl)methyl]cycloheptanamine.
Chemical Property Profile of N-(2,4,5-trimethoxybenzyl)cycloheptanamine
Property Insights of N-(2,4,5-trimethoxybenzyl)cycloheptanamine
The XLogP value of 3.5248 indicates that N-(2,4,5-trimethoxybenzyl)cycloheptanamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.72 Ų, N-(2,4,5-trimethoxybenzyl)cycloheptanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2,4,5-trimethoxybenzyl)cycloheptanamine has 1 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-(2,4,5-trimethoxybenzyl)cycloheptanamine?
The CAS number of N-(2,4,5-trimethoxybenzyl)cycloheptanamine is 418778-25-3.
What is the molecular formula of N-(2,4,5-trimethoxybenzyl)cycloheptanamine?
The molecular formula of N-(2,4,5-trimethoxybenzyl)cycloheptanamine is C17H27NO3.
What is the molecular weight of N-(2,4,5-trimethoxybenzyl)cycloheptanamine?
The molecular weight of N-(2,4,5-trimethoxybenzyl)cycloheptanamine is 293.20 g/mol.
Where can I buy N-(2,4,5-trimethoxybenzyl)cycloheptanamine?
You can request a quote for N-(2,4,5-trimethoxybenzyl)cycloheptanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,4,5-trimethoxybenzyl)cycloheptanamine?
Yes, KEHONG BIO provides custom synthesis services for N-(2,4,5-trimethoxybenzyl)cycloheptanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.