N-((thiophen-2-yl)methyl)-2,3-dihydro-1,4-benzodioxin-6-amine
TL;DR: N-((thiophen-2-yl)methyl)-2,3-dihydro-1,4-benzodioxin-6-amine (CAS 869950-48-1) is a chemical compound with molecular formula C13H13NO2S and molecular weight 247.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(thiophen-2-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
Also Known As: N-(thiophen-2-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine, N-[(thiophen-2-yl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine, N-(2-thienylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine, N-((thiophen-2-yl)methyl)-2,3-dihydro-1,4-benzodioxin-6-amine, 103-885-2
| Molecular Formula | C13H13NO2S |
|---|---|
| Molecular Weight | 247.07 g/mol |
| LogP | 3.1314 |
| Topological Polar Surface Area | 30.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.0667 |
| Heavy Atoms | 17 |
| Complexity | 496.1255 |
Chemical Identifiers
| CAS Number | 869950-48-1 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)NCC3=CC=CS3 |
Product Overview
N-((thiophen-2-yl)methyl)-2,3-dihydro-1,4-benzodioxin-6-amine (CAS 869950-48-1), with molecular formula C13H13NO2S and molecular weight 247.07 g/mol. IUPAC: N-(thiophen-2-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine.
Chemical Property Profile of N-((thiophen-2-yl)methyl)-2,3-dihydro-1,4-benzodioxin-6-amine
Property Insights of N-((thiophen-2-yl)methyl)-2,3-dihydro-1,4-benzodioxin-6-amine
The XLogP value of 3.1314 indicates that N-((thiophen-2-yl)methyl)-2,3-dihydro-1,4-benzodioxin-6-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.49 Ų, N-((thiophen-2-yl)methyl)-2,3-dihydro-1,4-benzodioxin-6-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-((thiophen-2-yl)methyl)-2,3-dihydro-1,4-benzodioxin-6-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-((thiophen-2-yl)methyl)-2,3-dihydro-1,4-benzodioxin-6-amine?
The CAS number of N-((thiophen-2-yl)methyl)-2,3-dihydro-1,4-benzodioxin-6-amine is 869950-48-1.
What is the molecular formula of N-((thiophen-2-yl)methyl)-2,3-dihydro-1,4-benzodioxin-6-amine?
The molecular formula of N-((thiophen-2-yl)methyl)-2,3-dihydro-1,4-benzodioxin-6-amine is C13H13NO2S.
What is the molecular weight of N-((thiophen-2-yl)methyl)-2,3-dihydro-1,4-benzodioxin-6-amine?
The molecular weight of N-((thiophen-2-yl)methyl)-2,3-dihydro-1,4-benzodioxin-6-amine is 247.07 g/mol.
Where can I buy N-((thiophen-2-yl)methyl)-2,3-dihydro-1,4-benzodioxin-6-amine?
You can request a quote for N-((thiophen-2-yl)methyl)-2,3-dihydro-1,4-benzodioxin-6-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((thiophen-2-yl)methyl)-2,3-dihydro-1,4-benzodioxin-6-amine?
Yes, KEHONG BIO provides custom synthesis services for N-((thiophen-2-yl)methyl)-2,3-dihydro-1,4-benzodioxin-6-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.