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Benzo[1,3]dioxol-5-ylmethyl-(2-methoxy-benzyl)-amine
TL;DR: Benzo[1,3]dioxol-5-ylmethyl-(2-methoxy-benzyl)-amine (CAS 452-64-2) is a chemical compound with molecular formula C16H17NO3 and molecular weight 271.12 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-[(2-methoxyphenyl)methyl]methanamine
Also Known As: 4-Fluoro-o-xylene, Benzo[1,3]dioxol-5-ylmethyl-(2-methoxy-benzyl)-amine, 3-(2-methoxyphenyl)benzaldehyde, 3003AE, BAS 02500419
| Molecular Formula | C16H17NO3 |
|---|---|
| Molecular Weight | 271.12 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 39.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 271.12085 |
| Heavy Atoms | 20 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 452-64-2 |
|---|---|
| SMILES | COC1=CC=CC=C1CNCC2=CC3=C(C=C2)OCO3 |
| InChIKey | MOXFWQPWQPWGMU-UHFFFAOYSA-N |
Product Overview
Benzo[1,3]dioxol-5-ylmethyl-(2-methoxy-benzyl)-amine (CAS 452-64-2), with molecular formula C16H17NO3 and molecular weight 271.12 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-N-[(2-methoxyphenyl)methyl]methanamine.
Chemical Property Profile of Benzo[1,3]dioxol-5-ylmethyl-(2-methoxy-benzyl)-amine
Property Insights of Benzo[1,3]dioxol-5-ylmethyl-(2-methoxy-benzyl)-amine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo[1,3]dioxol-5-ylmethyl-(2-methoxy-benzyl)-amine. With a topological polar surface area (TPSA) of 39.7 Ų, Benzo[1,3]dioxol-5-ylmethyl-(2-methoxy-benzyl)-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo[1,3]dioxol-5-ylmethyl-(2-methoxy-benzyl)-amine 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 Benzo[1,3]dioxol-5-ylmethyl-(2-methoxy-benzyl)-amine?
The CAS number of Benzo[1,3]dioxol-5-ylmethyl-(2-methoxy-benzyl)-amine is 452-64-2.
What is the molecular formula of Benzo[1,3]dioxol-5-ylmethyl-(2-methoxy-benzyl)-amine?
The molecular formula of Benzo[1,3]dioxol-5-ylmethyl-(2-methoxy-benzyl)-amine is C16H17NO3.
What is the molecular weight of Benzo[1,3]dioxol-5-ylmethyl-(2-methoxy-benzyl)-amine?
The molecular weight of Benzo[1,3]dioxol-5-ylmethyl-(2-methoxy-benzyl)-amine is 271.12 g/mol.
Where can I buy Benzo[1,3]dioxol-5-ylmethyl-(2-methoxy-benzyl)-amine?
You can request a quote for Benzo[1,3]dioxol-5-ylmethyl-(2-methoxy-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-(2-methoxy-benzyl)-amine?
Yes, KEHONG BIO provides custom synthesis services for Benzo[1,3]dioxol-5-ylmethyl-(2-methoxy-benzyl)-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.