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Benzo[1,3]dioxol-5-ylmethyl-(4-fluoro-benzyl)-amine
TL;DR: Benzo[1,3]dioxol-5-ylmethyl-(4-fluoro-benzyl)-amine (CAS 493036-49-0) is a chemical compound with molecular formula C15H14FNO2 and molecular weight 259.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)methanamine
Also Known As: Benzo[1,3]dioxol-5-ylmethyl-(4-fluoro-benzyl)-amine, n-4-fluorobenzyl-piperonylamine, (1,3-BENZODIOXOL-5-YLMETHYL)(4-FLUOROBENZYL)AMINE, BAS 10139676, 1-(Benzo[d][1,3]dioxol-5-yl)-N-(4-fluorobenzyl)methanamine
| Molecular Formula | C15H14FNO2 |
|---|---|
| Molecular Weight | 259.10 g/mol |
| LogP | 2.8442 |
| Topological Polar Surface Area | 30.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.10086 |
| Heavy Atoms | 19 |
| Complexity | 568.8583 |
Chemical Identifiers
| CAS Number | 493036-49-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNCC3=CC=C(C=C3)F |
Product Overview
Benzo[1,3]dioxol-5-ylmethyl-(4-fluoro-benzyl)-amine (CAS 493036-49-0), with molecular formula C15H14FNO2 and molecular weight 259.10 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)methanamine.
Chemical Property Profile of Benzo[1,3]dioxol-5-ylmethyl-(4-fluoro-benzyl)-amine
Property Insights of Benzo[1,3]dioxol-5-ylmethyl-(4-fluoro-benzyl)-amine
The XLogP value of 2.8442 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo[1,3]dioxol-5-ylmethyl-(4-fluoro-benzyl)-amine. With a topological polar surface area (TPSA) of 30.49 Ų, Benzo[1,3]dioxol-5-ylmethyl-(4-fluoro-benzyl)-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo[1,3]dioxol-5-ylmethyl-(4-fluoro-benzyl)-amine has 1 hydrogen bond donor(s) and 3 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-(4-fluoro-benzyl)-amine?
The CAS number of Benzo[1,3]dioxol-5-ylmethyl-(4-fluoro-benzyl)-amine is 493036-49-0.
What is the molecular formula of Benzo[1,3]dioxol-5-ylmethyl-(4-fluoro-benzyl)-amine?
The molecular formula of Benzo[1,3]dioxol-5-ylmethyl-(4-fluoro-benzyl)-amine is C15H14FNO2.
What is the molecular weight of Benzo[1,3]dioxol-5-ylmethyl-(4-fluoro-benzyl)-amine?
The molecular weight of Benzo[1,3]dioxol-5-ylmethyl-(4-fluoro-benzyl)-amine is 259.10 g/mol.
Where can I buy Benzo[1,3]dioxol-5-ylmethyl-(4-fluoro-benzyl)-amine?
You can request a quote for Benzo[1,3]dioxol-5-ylmethyl-(4-fluoro-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-(4-fluoro-benzyl)-amine?
Yes, KEHONG BIO provides custom synthesis services for Benzo[1,3]dioxol-5-ylmethyl-(4-fluoro-benzyl)-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.