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Benzo[1,3]dioxol-5-ylmethyl-(3-ethoxy-propyl)-amine
TL;DR: Benzo[1,3]dioxol-5-ylmethyl-(3-ethoxy-propyl)-amine (CAS 774551-36-9) is a chemical compound with molecular formula C13H19NO3 and molecular weight 237.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-3-ethoxypropan-1-amine
Also Known As: Benzo[1,3]dioxol-5-ylmethyl-(3-ethoxy-propyl)-amine, BAS 07017992, N-(1,3-benzodioxol-5-ylmethyl)-3-ethoxypropan-1-amine, (2h-1,3-benzodioxol-5-ylmethyl)(3-ethoxypropyl)amine, BB 0218987
| Molecular Formula | C13H19NO3 |
|---|---|
| Molecular Weight | 237.14 g/mol |
| LogP | 1.9315 |
| Topological Polar Surface Area | 39.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 237.13649 |
| Heavy Atoms | 17 |
| Complexity | 354.51785 |
Chemical Identifiers
| CAS Number | 774551-36-9 |
|---|---|
| SMILES | CCOCCCNCC1=CC2=C(C=C1)OCO2 |
Product Overview
Benzo[1,3]dioxol-5-ylmethyl-(3-ethoxy-propyl)-amine (CAS 774551-36-9), with molecular formula C13H19NO3 and molecular weight 237.14 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-3-ethoxypropan-1-amine.
Chemical Property Profile of Benzo[1,3]dioxol-5-ylmethyl-(3-ethoxy-propyl)-amine
Property Insights of Benzo[1,3]dioxol-5-ylmethyl-(3-ethoxy-propyl)-amine
The XLogP value of 1.9315 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo[1,3]dioxol-5-ylmethyl-(3-ethoxy-propyl)-amine. With a topological polar surface area (TPSA) of 39.72 Ų, Benzo[1,3]dioxol-5-ylmethyl-(3-ethoxy-propyl)-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo[1,3]dioxol-5-ylmethyl-(3-ethoxy-propyl)-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-(3-ethoxy-propyl)-amine?
The CAS number of Benzo[1,3]dioxol-5-ylmethyl-(3-ethoxy-propyl)-amine is 774551-36-9.
What is the molecular formula of Benzo[1,3]dioxol-5-ylmethyl-(3-ethoxy-propyl)-amine?
The molecular formula of Benzo[1,3]dioxol-5-ylmethyl-(3-ethoxy-propyl)-amine is C13H19NO3.
What is the molecular weight of Benzo[1,3]dioxol-5-ylmethyl-(3-ethoxy-propyl)-amine?
The molecular weight of Benzo[1,3]dioxol-5-ylmethyl-(3-ethoxy-propyl)-amine is 237.14 g/mol.
Where can I buy Benzo[1,3]dioxol-5-ylmethyl-(3-ethoxy-propyl)-amine?
You can request a quote for Benzo[1,3]dioxol-5-ylmethyl-(3-ethoxy-propyl)-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-ethoxy-propyl)-amine?
Yes, KEHONG BIO provides custom synthesis services for Benzo[1,3]dioxol-5-ylmethyl-(3-ethoxy-propyl)-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.