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Benzo[1,3]dioxol-5-ylmethyl-(3,4-dimethoxy-benzyl)-amine
TL;DR: Benzo[1,3]dioxol-5-ylmethyl-(3,4-dimethoxy-benzyl)-amine (CAS 328002-39-7) is a chemical compound with molecular formula C17H19NO4 and molecular weight 301.13 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-[(3,4-dimethoxyphenyl)methyl]methanamine
Also Known As: BAS 01125220, AB00087255-01, Benzo[1,3]dioxol-5-ylmethyl-(3,4-dimethoxy-benzyl)-amine, AN-465/40122325, 1-(1,3-benzodioxol-5-yl)-N-(3,4-dimethoxybenzyl)methanamine
| Molecular Formula | C17H19NO4 |
|---|---|
| Molecular Weight | 301.13 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 49.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 301.1314 |
| Heavy Atoms | 22 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 328002-39-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CNCC2=CC3=C(C=C2)OCO3)OC |
| InChIKey | UQORZIHYXFGJRG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzo[1,3]dioxol-5-ylmethyl-(3,4-dimethoxy-benzyl)-amine (CAS 328002-39-7), with molecular formula C17H19NO4 and molecular weight 301.13 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-N-[(3,4-dimethoxyphenyl)methyl]methanamine.
Chemical Property Profile of Benzo[1,3]dioxol-5-ylmethyl-(3,4-dimethoxy-benzyl)-amine
Property Insights of Benzo[1,3]dioxol-5-ylmethyl-(3,4-dimethoxy-benzyl)-amine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo[1,3]dioxol-5-ylmethyl-(3,4-dimethoxy-benzyl)-amine. With a topological polar surface area (TPSA) of 49.0 Ų, Benzo[1,3]dioxol-5-ylmethyl-(3,4-dimethoxy-benzyl)-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo[1,3]dioxol-5-ylmethyl-(3,4-dimethoxy-benzyl)-amine has 1 hydrogen bond donor(s) and 5 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 Benzo[1,3]dioxol-5-ylmethyl-(3,4-dimethoxy-benzyl)-amine?
The CAS number of Benzo[1,3]dioxol-5-ylmethyl-(3,4-dimethoxy-benzyl)-amine is 328002-39-7.
What is the molecular formula of Benzo[1,3]dioxol-5-ylmethyl-(3,4-dimethoxy-benzyl)-amine?
The molecular formula of Benzo[1,3]dioxol-5-ylmethyl-(3,4-dimethoxy-benzyl)-amine is C17H19NO4.
What is the molecular weight of Benzo[1,3]dioxol-5-ylmethyl-(3,4-dimethoxy-benzyl)-amine?
The molecular weight of Benzo[1,3]dioxol-5-ylmethyl-(3,4-dimethoxy-benzyl)-amine is 301.13 g/mol.
Where can I buy Benzo[1,3]dioxol-5-ylmethyl-(3,4-dimethoxy-benzyl)-amine?
You can request a quote for Benzo[1,3]dioxol-5-ylmethyl-(3,4-dimethoxy-benzyl)-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo[1,3]dioxol-5-ylmethyl-(3,4-dimethoxy-benzyl)-amine?
Yes, KEHONG BIO provides custom synthesis services for Benzo[1,3]dioxol-5-ylmethyl-(3,4-dimethoxy-benzyl)-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.