3-(2,2-dimethyloxan-4-yl)-N-[(3-methoxy-4-propan-2-yloxy-phenyl)methyl]-6-methyl-heptan-1-amine structure

3-(2,2-dimethyloxan-4-yl)-N-[(3-methoxy-4-propan-2-yloxy-phenyl)methyl]-6-methyl-heptan-1-amine

TL;DR: 3-(2,2-dimethyloxan-4-yl)-N-[(3-methoxy-4-propan-2-yloxy-phenyl)methyl]-6-methyl-heptan-1-amine (CAS 864818-68-8) is a chemical compound with molecular formula C26H45NO3 and molecular weight 419.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.

3-(2,2-dimethyloxan-4-yl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-6-methylheptan-1-amine

Also Known As: 3-(2,2-dimethyloxan-4-yl)-N-[(3-methoxy-4-propan-2-yloxy-phenyl)methyl]-6-methyl-heptan-1-amine, 3-(2,2-dimethyloxan-4-yl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-6-methylheptan-1-amine, 3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-N-(4-isopropoxy-3-methoxybenzyl)-6-methylheptan-1-amine, 3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-N-[3-methoxy-4-(propan-2-yloxy)benzyl]-6-methylheptan-1-amine

CAS: 864818-68-8
Molecular Formula C26H45NO3
Molecular Weight 419.34 g/mol
LogP 6.2197
Topological Polar Surface Area 39.72 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
Rotatable Bonds 12
Exact Mass 419.33994
Heavy Atoms 30
Complexity 626.7048

Chemical Identifiers

CAS Number 864818-68-8
SMILES CC(C)CCC(CCNCC1=CC(=C(C=C1)OC(C)C)OC)C2CCOC(C2)(C)C

Product Overview

3-(2,2-dimethyloxan-4-yl)-N-[(3-methoxy-4-propan-2-yloxy-phenyl)methyl]-6-methyl-heptan-1-amine (CAS 864818-68-8), with molecular formula C26H45NO3 and molecular weight 419.34 g/mol. IUPAC: 3-(2,2-dimethyloxan-4-yl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-6-methylheptan-1-amine.

🧪
Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →

Chemical Property Profile of 3-(2,2-dimethyloxan-4-yl)-N-[(3-methoxy-4-propan-2-yloxy-phenyl)methyl]-6-methyl-heptan-1-amine

XLogP
6.2197
TPSA (Topological Polar Surface Area)
39.72
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
4
Rotatable Bonds
12
Heavy Atoms
30
Complexity
626.7048
Exact Mass
419.33994
Monoisotopic Mass
419.33994
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 3-(2,2-dimethyloxan-4-yl)-N-[(3-methoxy-4-propan-2-yloxy-phenyl)methyl]-6-methyl-heptan-1-amine

The XLogP value of 6.2197 indicates that 3-(2,2-dimethyloxan-4-yl)-N-[(3-methoxy-4-propan-2-yloxy-phenyl)methyl]-6-methyl-heptan-1-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.72 Ų, 3-(2,2-dimethyloxan-4-yl)-N-[(3-methoxy-4-propan-2-yloxy-phenyl)methyl]-6-methyl-heptan-1-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,2-dimethyloxan-4-yl)-N-[(3-methoxy-4-propan-2-yloxy-phenyl)methyl]-6-methyl-heptan-1-amine has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the typical lead time for this product?
Lead time typically ranges from 3-7 business days for in-stock items. For larger quantities or custom orders, please contact us for specific lead times.
Can you provide samples for testing?
Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.
What documentation do you provide with the product?
We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.
Do you ship internationally?
Yes, we ship to most countries worldwide. Shipping costs and delivery times vary by location. Please contact us for specific shipping information.

Frequently Asked Questions

What is the CAS number of 3-(2,2-dimethyloxan-4-yl)-N-[(3-methoxy-4-propan-2-yloxy-phenyl)methyl]-6-methyl-heptan-1-amine?

The CAS number of 3-(2,2-dimethyloxan-4-yl)-N-[(3-methoxy-4-propan-2-yloxy-phenyl)methyl]-6-methyl-heptan-1-amine is 864818-68-8.

What is the molecular formula of 3-(2,2-dimethyloxan-4-yl)-N-[(3-methoxy-4-propan-2-yloxy-phenyl)methyl]-6-methyl-heptan-1-amine?

The molecular formula of 3-(2,2-dimethyloxan-4-yl)-N-[(3-methoxy-4-propan-2-yloxy-phenyl)methyl]-6-methyl-heptan-1-amine is C26H45NO3.

What is the molecular weight of 3-(2,2-dimethyloxan-4-yl)-N-[(3-methoxy-4-propan-2-yloxy-phenyl)methyl]-6-methyl-heptan-1-amine?

The molecular weight of 3-(2,2-dimethyloxan-4-yl)-N-[(3-methoxy-4-propan-2-yloxy-phenyl)methyl]-6-methyl-heptan-1-amine is 419.34 g/mol.

Where can I buy 3-(2,2-dimethyloxan-4-yl)-N-[(3-methoxy-4-propan-2-yloxy-phenyl)methyl]-6-methyl-heptan-1-amine?

You can request a quote for 3-(2,2-dimethyloxan-4-yl)-N-[(3-methoxy-4-propan-2-yloxy-phenyl)methyl]-6-methyl-heptan-1-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.

Does KEHONG BIO offer custom synthesis for 3-(2,2-dimethyloxan-4-yl)-N-[(3-methoxy-4-propan-2-yloxy-phenyl)methyl]-6-methyl-heptan-1-amine?

Yes, KEHONG BIO provides custom synthesis services for 3-(2,2-dimethyloxan-4-yl)-N-[(3-methoxy-4-propan-2-yloxy-phenyl)methyl]-6-methyl-heptan-1-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

🤖 科弘生物 AI 助手 ×
您好!我是 科弘生物 AI 助手。可以问我产品搜索、询价、样品或技术问题。如何帮助您?