N-(furan-2-ylmethyl)-1,3-benzodioxol-5-amine
TL;DR: N-(furan-2-ylmethyl)-1,3-benzodioxol-5-amine (CAS 415972-07-5) is a chemical compound with molecular formula C12H11NO3 and molecular weight 217.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(furan-2-ylmethyl)-1,3-benzodioxol-5-amine
Also Known As: 3,4-(Methylenedioxy)-N-furfurylaniline, N-Furfuryl-1,3-benzodioxole-5-amine, N-(furan-2-ylmethyl)-1,3-benzodioxol-5-amine, J3.660.998B, N-(2-Furylmethyl)-1,3-benzodioxole-5-amine
| Molecular Formula | C12H11NO3 |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.0739 |
| Heavy Atoms | 16 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 415972-07-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NCC3=CC=CO3 |
| InChIKey | LEFBIPRUKQBNJF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(furan-2-ylmethyl)-1,3-benzodioxol-5-amine (CAS 415972-07-5), with molecular formula C12H11NO3 and molecular weight 217.07 g/mol. IUPAC: N-(furan-2-ylmethyl)-1,3-benzodioxol-5-amine.
Chemical Property Profile of N-(furan-2-ylmethyl)-1,3-benzodioxol-5-amine
Property Insights of N-(furan-2-ylmethyl)-1,3-benzodioxol-5-amine
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(furan-2-ylmethyl)-1,3-benzodioxol-5-amine. With a topological polar surface area (TPSA) of 43.6 Ų, N-(furan-2-ylmethyl)-1,3-benzodioxol-5-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(furan-2-ylmethyl)-1,3-benzodioxol-5-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 N-(furan-2-ylmethyl)-1,3-benzodioxol-5-amine?
The CAS number of N-(furan-2-ylmethyl)-1,3-benzodioxol-5-amine is 415972-07-5.
What is the molecular formula of N-(furan-2-ylmethyl)-1,3-benzodioxol-5-amine?
The molecular formula of N-(furan-2-ylmethyl)-1,3-benzodioxol-5-amine is C12H11NO3.
What is the molecular weight of N-(furan-2-ylmethyl)-1,3-benzodioxol-5-amine?
The molecular weight of N-(furan-2-ylmethyl)-1,3-benzodioxol-5-amine is 217.07 g/mol.
Where can I buy N-(furan-2-ylmethyl)-1,3-benzodioxol-5-amine?
You can request a quote for N-(furan-2-ylmethyl)-1,3-benzodioxol-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(furan-2-ylmethyl)-1,3-benzodioxol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(furan-2-ylmethyl)-1,3-benzodioxol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.