N-(2-Thienylmethyl)-1,3-benzodioxol-5-amine
TL;DR: N-(2-Thienylmethyl)-1,3-benzodioxol-5-amine (CAS 869947-85-3) is a chemical compound with molecular formula C12H11NO2S and molecular weight 233.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(thiophen-2-ylmethyl)-1,3-benzodioxol-5-amine
Also Known As: N-(2-Thienylmethyl)-1,3-benzodioxol-5-amine, N-(thiophen-2-ylmethyl)-1,3-benzodioxol-5-amine, N-[(Thiophen-2-yl)methyl]-2H-1,3-benzodioxol-5-amine
| Molecular Formula | C12H11NO2S |
|---|---|
| Molecular Weight | 233.05 g/mol |
| LogP | 3.0889 |
| Topological Polar Surface Area | 30.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.05106 |
| Heavy Atoms | 16 |
| Complexity | 481.76892 |
Chemical Identifiers
| CAS Number | 869947-85-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NCC3=CC=CS3 |
Product Overview
N-(2-Thienylmethyl)-1,3-benzodioxol-5-amine (CAS 869947-85-3), with molecular formula C12H11NO2S and molecular weight 233.05 g/mol. IUPAC: N-(thiophen-2-ylmethyl)-1,3-benzodioxol-5-amine.
Chemical Property Profile of N-(2-Thienylmethyl)-1,3-benzodioxol-5-amine
Property Insights of N-(2-Thienylmethyl)-1,3-benzodioxol-5-amine
The XLogP value of 3.0889 indicates that N-(2-Thienylmethyl)-1,3-benzodioxol-5-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-(2-Thienylmethyl)-1,3-benzodioxol-5-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-Thienylmethyl)-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-(2-Thienylmethyl)-1,3-benzodioxol-5-amine?
The CAS number of N-(2-Thienylmethyl)-1,3-benzodioxol-5-amine is 869947-85-3.
What is the molecular formula of N-(2-Thienylmethyl)-1,3-benzodioxol-5-amine?
The molecular formula of N-(2-Thienylmethyl)-1,3-benzodioxol-5-amine is C12H11NO2S.
What is the molecular weight of N-(2-Thienylmethyl)-1,3-benzodioxol-5-amine?
The molecular weight of N-(2-Thienylmethyl)-1,3-benzodioxol-5-amine is 233.05 g/mol.
Where can I buy N-(2-Thienylmethyl)-1,3-benzodioxol-5-amine?
You can request a quote for N-(2-Thienylmethyl)-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-(2-Thienylmethyl)-1,3-benzodioxol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Thienylmethyl)-1,3-benzodioxol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.