![1-(1,3-benzodioxol-5-yl)-N-[3-methoxy-4-(thiophen-2-ylmethoxy)benzyl]methanamine structure](/static/products/892/892587-87-0.png)
1-(1,3-benzodioxol-5-yl)-N-[3-methoxy-4-(thiophen-2-ylmethoxy)benzyl]methanamine
TL;DR: 1-(1,3-benzodioxol-5-yl)-N-[3-methoxy-4-(thiophen-2-ylmethoxy)benzyl]methanamine (CAS 892587-87-0) is a chemical compound with molecular formula C21H21NO4S and molecular weight 383.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]methanamine
Also Known As: AN-465/43029019, 1-(1,3-benzodioxol-5-yl)-N-[3-methoxy-4-(thiophen-2-ylmethoxy)benzyl]methanamine, 1-(1,3-benzodioxol-5-yl)-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]methanamine, Benzo[1,3]dioxol-5-ylmethyl-[3-methoxy-4-(thiophen-2-ylmethoxy)-benzyl]-amine, 1-benzo[1,3]dioxol-5-yl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]methanamine
| Molecular Formula | C21H21NO4S |
|---|---|
| Molecular Weight | 383.12 g/mol |
| LogP | 4.3542 |
| Topological Polar Surface Area | 48.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 383.11914 |
| Heavy Atoms | 27 |
| Complexity | 895.2022 |
Chemical Identifiers
| CAS Number | 892587-87-0 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)CNCC2=CC3=C(C=C2)OCO3)OCC4=CC=CS4 |
Product Overview
1-(1,3-benzodioxol-5-yl)-N-[3-methoxy-4-(thiophen-2-ylmethoxy)benzyl]methanamine (CAS 892587-87-0), with molecular formula C21H21NO4S and molecular weight 383.12 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]methanamine.
Chemical Property Profile of 1-(1,3-benzodioxol-5-yl)-N-[3-methoxy-4-(thiophen-2-ylmethoxy)benzyl]methanamine
Property Insights of 1-(1,3-benzodioxol-5-yl)-N-[3-methoxy-4-(thiophen-2-ylmethoxy)benzyl]methanamine
The XLogP value of 4.3542 indicates that 1-(1,3-benzodioxol-5-yl)-N-[3-methoxy-4-(thiophen-2-ylmethoxy)benzyl]methanamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.95 Ų, 1-(1,3-benzodioxol-5-yl)-N-[3-methoxy-4-(thiophen-2-ylmethoxy)benzyl]methanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-benzodioxol-5-yl)-N-[3-methoxy-4-(thiophen-2-ylmethoxy)benzyl]methanamine has 1 hydrogen bond donor(s) and 6 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 1-(1,3-benzodioxol-5-yl)-N-[3-methoxy-4-(thiophen-2-ylmethoxy)benzyl]methanamine?
The CAS number of 1-(1,3-benzodioxol-5-yl)-N-[3-methoxy-4-(thiophen-2-ylmethoxy)benzyl]methanamine is 892587-87-0.
What is the molecular formula of 1-(1,3-benzodioxol-5-yl)-N-[3-methoxy-4-(thiophen-2-ylmethoxy)benzyl]methanamine?
The molecular formula of 1-(1,3-benzodioxol-5-yl)-N-[3-methoxy-4-(thiophen-2-ylmethoxy)benzyl]methanamine is C21H21NO4S.
What is the molecular weight of 1-(1,3-benzodioxol-5-yl)-N-[3-methoxy-4-(thiophen-2-ylmethoxy)benzyl]methanamine?
The molecular weight of 1-(1,3-benzodioxol-5-yl)-N-[3-methoxy-4-(thiophen-2-ylmethoxy)benzyl]methanamine is 383.12 g/mol.
Where can I buy 1-(1,3-benzodioxol-5-yl)-N-[3-methoxy-4-(thiophen-2-ylmethoxy)benzyl]methanamine?
You can request a quote for 1-(1,3-benzodioxol-5-yl)-N-[3-methoxy-4-(thiophen-2-ylmethoxy)benzyl]methanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-benzodioxol-5-yl)-N-[3-methoxy-4-(thiophen-2-ylmethoxy)benzyl]methanamine?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-benzodioxol-5-yl)-N-[3-methoxy-4-(thiophen-2-ylmethoxy)benzyl]methanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.