![N-(1,3-benzodioxol-5-ylmethyl)-2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethanamine structure](/static/products/859/859140-90-2.png)
N-(1,3-benzodioxol-5-ylmethyl)-2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethanamine
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethanamine (CAS 859140-90-2) is a chemical compound with molecular formula C22H35NO3 and molecular weight 361.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethanamine
Also Known As: N-(1,3-benzodioxol-5-ylmethyl)-2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethanamine, N-(benzo[1,3]dioxol-5-ylmethyl)-2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethanamine, N-(1,3-benzodioxol-5-ylmethyl)-2-[2,2-dimethyl-4-(3-methylbutyl)tetrahydro-2H-pyran-4-yl]ethanamine, N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-(4-isopentyl-2,2-dimethyltetrahydro-2H-pyran-4-yl)ethanamine
| Molecular Formula | C22H35NO3 |
|---|---|
| Molecular Weight | 361.26 g/mol |
| LogP | 4.9066 |
| Topological Polar Surface Area | 39.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 361.2617 |
| Heavy Atoms | 26 |
| Complexity | 599.0502 |
Chemical Identifiers
| CAS Number | 859140-90-2 |
|---|---|
| SMILES | CC(C)CCC1(CCOC(C1)(C)C)CCNCC2=CC3=C(C=C2)OCO3 |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethanamine (CAS 859140-90-2), with molecular formula C22H35NO3 and molecular weight 361.26 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethanamine.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethanamine
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethanamine
The XLogP value of 4.9066 indicates that N-(1,3-benzodioxol-5-ylmethyl)-2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethanamine 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-(1,3-benzodioxol-5-ylmethyl)-2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethanamine 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-(1,3-benzodioxol-5-ylmethyl)-2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethanamine?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethanamine is 859140-90-2.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethanamine?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethanamine is C22H35NO3.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethanamine?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethanamine is 361.26 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethanamine?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-ylmethyl)-2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethanamine?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.