5H-Indeno(5,6-d)-1,3-dioxole, 6-butyl-5-dimethylamino-, hydrochloride
TL;DR: 5H-Indeno(5,6-d)-1,3-dioxole, 6-butyl-5-dimethylamino-, hydrochloride (CAS 51003-83-9) is a chemical compound with molecular formula C16H22ClNO2 and molecular weight 295.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-butyl-N,N-dimethyl-7H-cyclopenta[f][1,3]benzodioxol-7-amine;hydrochloride
Also Known As: bu-MDI HCl, bu-MDI, 2-n-Butyl-3-dimethylamino-5,6-methylenedioxyindenehydrochloride, 5H-Indeno(5,6-d)-1,3-dioxole, 6-butyl-5-dimethylamino-, hydrochloride, 2-Butyl-5,6-methylenedioxyindene-1-dimethylammonium hydrochloride
| Molecular Formula | C16H22ClNO2 |
|---|---|
| Molecular Weight | 295.13 g/mol |
| LogP | 4.027 |
| Topological Polar Surface Area | 21.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.1339 |
| Heavy Atoms | 20 |
| Complexity | 525.4533 |
Chemical Identifiers
| CAS Number | 51003-83-9 |
|---|---|
| SMILES | CCCCC1=CC2=CC3=C(C=C2C1N(C)C)OCO3.Cl |
Product Overview
5H-Indeno(5,6-d)-1,3-dioxole, 6-butyl-5-dimethylamino-, hydrochloride (CAS 51003-83-9), with molecular formula C16H22ClNO2 and molecular weight 295.13 g/mol. IUPAC: 6-butyl-N,N-dimethyl-7H-cyclopenta[f][1,3]benzodioxol-7-amine;hydrochloride.
Chemical Property Profile of 5H-Indeno(5,6-d)-1,3-dioxole, 6-butyl-5-dimethylamino-, hydrochloride
Property Insights of 5H-Indeno(5,6-d)-1,3-dioxole, 6-butyl-5-dimethylamino-, hydrochloride
The XLogP value of 4.027 indicates that 5H-Indeno(5,6-d)-1,3-dioxole, 6-butyl-5-dimethylamino-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.7 Ų, 5H-Indeno(5,6-d)-1,3-dioxole, 6-butyl-5-dimethylamino-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5H-Indeno(5,6-d)-1,3-dioxole, 6-butyl-5-dimethylamino-, hydrochloride 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 5H-Indeno(5,6-d)-1,3-dioxole, 6-butyl-5-dimethylamino-, hydrochloride?
The CAS number of 5H-Indeno(5,6-d)-1,3-dioxole, 6-butyl-5-dimethylamino-, hydrochloride is 51003-83-9.
What is the molecular formula of 5H-Indeno(5,6-d)-1,3-dioxole, 6-butyl-5-dimethylamino-, hydrochloride?
The molecular formula of 5H-Indeno(5,6-d)-1,3-dioxole, 6-butyl-5-dimethylamino-, hydrochloride is C16H22ClNO2.
What is the molecular weight of 5H-Indeno(5,6-d)-1,3-dioxole, 6-butyl-5-dimethylamino-, hydrochloride?
The molecular weight of 5H-Indeno(5,6-d)-1,3-dioxole, 6-butyl-5-dimethylamino-, hydrochloride is 295.13 g/mol.
Where can I buy 5H-Indeno(5,6-d)-1,3-dioxole, 6-butyl-5-dimethylamino-, hydrochloride?
You can request a quote for 5H-Indeno(5,6-d)-1,3-dioxole, 6-butyl-5-dimethylamino-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5H-Indeno(5,6-d)-1,3-dioxole, 6-butyl-5-dimethylamino-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 5H-Indeno(5,6-d)-1,3-dioxole, 6-butyl-5-dimethylamino-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.