N-((5-Methyl-2-thienyl)methylene)-1,3-benzodioxol-5-amine
TL;DR: N-((5-Methyl-2-thienyl)methylene)-1,3-benzodioxol-5-amine (CAS 77822-83-4) is a chemical compound with molecular formula C13H11NO2S and molecular weight 245.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-1-(5-methylthiophen-2-yl)methanimine
Also Known As: N-((5-Methyl-2-thienyl)methylene)-1,3-benzodioxol-5-amine, N-(5-Methyl-2-thenylidene)-5-aminobenzodioxole-1,3, 1,3-Benzodioxol-5-amine, N-((5-methyl-2-thienyl)methylene)-, N-(1,3-benzodioxol-5-yl)-1-(5-methylthiophen-2-yl)methanimine
| Molecular Formula | C13H11NO2S |
|---|---|
| Molecular Weight | 245.05 g/mol |
| LogP | 3.53582 |
| Topological Polar Surface Area | 30.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.05106 |
| Heavy Atoms | 17 |
| Complexity | 574.54846 |
Chemical Identifiers
| CAS Number | 77822-83-4 |
|---|---|
| SMILES | CC1=CC=C(S1)C=NC2=CC3=C(C=C2)OCO3 |
Product Overview
N-((5-Methyl-2-thienyl)methylene)-1,3-benzodioxol-5-amine (CAS 77822-83-4), with molecular formula C13H11NO2S and molecular weight 245.05 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-1-(5-methylthiophen-2-yl)methanimine.
Chemical Property Profile of N-((5-Methyl-2-thienyl)methylene)-1,3-benzodioxol-5-amine
Property Insights of N-((5-Methyl-2-thienyl)methylene)-1,3-benzodioxol-5-amine
The XLogP value of 3.53582 indicates that N-((5-Methyl-2-thienyl)methylene)-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 30.82 Ų, N-((5-Methyl-2-thienyl)methylene)-1,3-benzodioxol-5-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-((5-Methyl-2-thienyl)methylene)-1,3-benzodioxol-5-amine has 0 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-((5-Methyl-2-thienyl)methylene)-1,3-benzodioxol-5-amine?
The CAS number of N-((5-Methyl-2-thienyl)methylene)-1,3-benzodioxol-5-amine is 77822-83-4.
What is the molecular formula of N-((5-Methyl-2-thienyl)methylene)-1,3-benzodioxol-5-amine?
The molecular formula of N-((5-Methyl-2-thienyl)methylene)-1,3-benzodioxol-5-amine is C13H11NO2S.
What is the molecular weight of N-((5-Methyl-2-thienyl)methylene)-1,3-benzodioxol-5-amine?
The molecular weight of N-((5-Methyl-2-thienyl)methylene)-1,3-benzodioxol-5-amine is 245.05 g/mol.
Where can I buy N-((5-Methyl-2-thienyl)methylene)-1,3-benzodioxol-5-amine?
You can request a quote for N-((5-Methyl-2-thienyl)methylene)-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-((5-Methyl-2-thienyl)methylene)-1,3-benzodioxol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for N-((5-Methyl-2-thienyl)methylene)-1,3-benzodioxol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.