2-Butyl-3-(dimethylamino)-5,6-methylenedioxyindan
TL;DR: 2-Butyl-3-(dimethylamino)-5,6-methylenedioxyindan (CAS 111858-09-4) is a chemical compound with molecular formula C16H23NO2 and molecular weight 261.17288 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-butyl-N,N-dimethyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-amine
Also Known As: MDI-B, 2-Butyl-3-(dimethylamino)-5,6-methylenedioxyindan, cis-2-N-Butyl-3-dimethylamino-5,6-methylenedioxyindan, 5H-Indeno(5,6-d)-1,3-dioxol-5-amine, 6-butyl-6,7-dihydro-N,N-dimethyl-, 5H-Indeno[5,6-d]-1,3-dioxol-5-amine,6-butyl-6,7-dihydro-N,N-dimethyl-
Technical Specifications
| Molecular Formula | C16H23NO2 |
| Molecular Weight | 261.17288 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 21.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.17288 Da |
| Heavy Atoms | 19 |
| Complexity | 307.0 |
| SMILES | CCCCC1CC2=CC3=C(C=C2C1N(C)C)OCO3 |
| InChIKey | FMKSZNRPQIUWSG-UHFFFAOYSA-N |
Chemical Property Profile of 2-Butyl-3-(dimethylamino)-5,6-methylenedioxyindan
Property Insights of 2-Butyl-3-(dimethylamino)-5,6-methylenedioxyindan
The XLogP value of 3.9 indicates that 2-Butyl-3-(dimethylamino)-5,6-methylenedioxyindan 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-Butyl-3-(dimethylamino)-5,6-methylenedioxyindan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butyl-3-(dimethylamino)-5,6-methylenedioxyindan 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
What is the CAS number of 2-Butyl-3-(dimethylamino)-5,6-methylenedioxyindan?
The CAS number of 2-Butyl-3-(dimethylamino)-5,6-methylenedioxyindan is 111858-09-4.
What is the molecular formula of 2-Butyl-3-(dimethylamino)-5,6-methylenedioxyindan?
The molecular formula of 2-Butyl-3-(dimethylamino)-5,6-methylenedioxyindan is C16H23NO2.
What is the molecular weight of 2-Butyl-3-(dimethylamino)-5,6-methylenedioxyindan?
The molecular weight of 2-Butyl-3-(dimethylamino)-5,6-methylenedioxyindan is 261.17288 g/mol.
Where can I buy 2-Butyl-3-(dimethylamino)-5,6-methylenedioxyindan?
You can request a quote for 2-Butyl-3-(dimethylamino)-5,6-methylenedioxyindan directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Butyl-3-(dimethylamino)-5,6-methylenedioxyindan?
Yes, CoreyChem provides custom synthesis services for 2-Butyl-3-(dimethylamino)-5,6-methylenedioxyindan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.