MDI-D
TL;DR: MDI-D (CAS 124673-07-0) is a chemical compound with molecular formula C19H30N2O2 and molecular weight 318.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-(6-butyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)-N,N,N'-trimethylethane-1,2-diamine
Also Known As: MDI-D, 2-(n-Butyl)-1-(N-methyl-N-(2-(N',N'-dimethylamino)ethyl)amino)-5,6-methylenedioxyindane, N'-(6-butyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)-N,N,N'-trimethylethane-1,2-diamine, 1,2-Ethanediamine, N-(6-butyl-6,7-dihydro-5H-indeno(5,6-d)-1,3-dioxol-5-yl)-N,N',N'-trimethyl-, N~1~-(6-Butyl-6,7-dihydro-2H,5H-indeno[5,6-d][1,3]dioxol-5-yl)-N~1~,N~2~,N~2~-trimethylethane-1,2-diamine
| Molecular Formula | C19H30N2O2 |
|---|---|
| Molecular Weight | 318.23 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 24.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 318.23074 |
| Heavy Atoms | 23 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 124673-07-0 |
|---|---|
| SMILES | CCCCC1CC2=CC3=C(C=C2C1N(C)CCN(C)C)OCO3 |
| InChIKey | PPANSEUXYNSIOO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
MDI-D (CAS 124673-07-0), with molecular formula C19H30N2O2 and molecular weight 318.23 g/mol. IUPAC: N'-(6-butyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)-N,N,N'-trimethylethane-1,2-diamine.
Chemical Property Profile of MDI-D
Property Insights of MDI-D
The XLogP value of 3.9 indicates that MDI-D is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.9 Ų, MDI-D exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, MDI-D 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 MDI-D?
The CAS number of MDI-D is 124673-07-0.
What is the molecular formula of MDI-D?
The molecular formula of MDI-D is C19H30N2O2.
What is the molecular weight of MDI-D?
The molecular weight of MDI-D is 318.23 g/mol.
Where can I buy MDI-D?
You can request a quote for MDI-D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MDI-D?
Yes, KEHONG BIO provides custom synthesis services for MDI-D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.