2-n-Butyl-3-(dimethylamino)-5,6-methylenedioxyindene
TL;DR: 2-n-Butyl-3-(dimethylamino)-5,6-methylenedioxyindene (CAS 6815-48-1) is a chemical compound with molecular formula C16H21NO2 and molecular weight 259.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-butyl-N,N-dimethyl-5H-cyclopenta[f][1,3]benzodioxol-7-amine
Also Known As: MDI-A, 2-n-Butyl-3-(dimethylamino)-5,6-methylenedioxyindene, 6-butyl-n,n-dimethyl-5h-indeno[5,6-d][1,3]dioxol-7-amine, 2-butyl-3-dimethylamino-5,6-methylene-dioxyindene, 2-Butyl-3-dimethylamino-5,6-methylenedioxy-1H-indene
| Molecular Formula | C16H21NO2 |
|---|---|
| Molecular Weight | 259.16 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 21.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.15723 |
| Heavy Atoms | 19 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 6815-48-1 |
|---|---|
| SMILES | CCCCC1=C(C2=CC3=C(C=C2C1)OCO3)N(C)C |
| InChIKey | XBXGLTALODVHEW-UHFFFAOYSA-N |
Product Overview
2-n-Butyl-3-(dimethylamino)-5,6-methylenedioxyindene (CAS 6815-48-1), with molecular formula C16H21NO2 and molecular weight 259.16 g/mol. IUPAC: 6-butyl-N,N-dimethyl-5H-cyclopenta[f][1,3]benzodioxol-7-amine.
Chemical Property Profile of 2-n-Butyl-3-(dimethylamino)-5,6-methylenedioxyindene
Property Insights of 2-n-Butyl-3-(dimethylamino)-5,6-methylenedioxyindene
The XLogP value of 3.8 indicates that 2-n-Butyl-3-(dimethylamino)-5,6-methylenedioxyindene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.7 Ų, 2-n-Butyl-3-(dimethylamino)-5,6-methylenedioxyindene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-n-Butyl-3-(dimethylamino)-5,6-methylenedioxyindene has 0 hydrogen bond donor(s) and 3 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 2-n-Butyl-3-(dimethylamino)-5,6-methylenedioxyindene?
The CAS number of 2-n-Butyl-3-(dimethylamino)-5,6-methylenedioxyindene is 6815-48-1.
What is the molecular formula of 2-n-Butyl-3-(dimethylamino)-5,6-methylenedioxyindene?
The molecular formula of 2-n-Butyl-3-(dimethylamino)-5,6-methylenedioxyindene is C16H21NO2.
What is the molecular weight of 2-n-Butyl-3-(dimethylamino)-5,6-methylenedioxyindene?
The molecular weight of 2-n-Butyl-3-(dimethylamino)-5,6-methylenedioxyindene is 259.16 g/mol.
Where can I buy 2-n-Butyl-3-(dimethylamino)-5,6-methylenedioxyindene?
You can request a quote for 2-n-Butyl-3-(dimethylamino)-5,6-methylenedioxyindene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-n-Butyl-3-(dimethylamino)-5,6-methylenedioxyindene?
Yes, KEHONG BIO provides custom synthesis services for 2-n-Butyl-3-(dimethylamino)-5,6-methylenedioxyindene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.