2-Bumdi
TL;DR: 2-Bumdi (CAS 111676-86-9) is a chemical compound with molecular formula C19H28N2O2 and molecular weight 316.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-(6-butyl-7H-cyclopenta[f][1,3]benzodioxol-7-yl)-N,N,N'-trimethylethane-1,2-diamine
Also Known As: 2-Bumdi, MDI-C, 2-Butyl-1-(N-methyl-N-(2-(N',N'-dimethylamino)ethyl)amino)-5,6-methylenedioxyindene, 1-(N-Methyl-N-(2(N',N'-dimethylamino)ethyl)amino)-2-butyl-methylenedioxyindene, 2-n-Butyl-1-(N-methyl-N-(2'(N',N'-dimethylamino)ethyl)amino)-5,6-methylenedioxyindene
| Molecular Formula | C19H28N2O2 |
|---|---|
| Molecular Weight | 316.22 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 24.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 316.2151 |
| Heavy Atoms | 23 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 111676-86-9 |
|---|---|
| SMILES | CCCCC1=CC2=CC3=C(C=C2C1N(C)CCN(C)C)OCO3 |
| InChIKey | BWSXKDUEEVYHSQ-UHFFFAOYSA-N |
Product Overview
2-Bumdi (CAS 111676-86-9), with molecular formula C19H28N2O2 and molecular weight 316.22 g/mol. IUPAC: N'-(6-butyl-7H-cyclopenta[f][1,3]benzodioxol-7-yl)-N,N,N'-trimethylethane-1,2-diamine.
Chemical Property Profile of 2-Bumdi
Property Insights of 2-Bumdi
The XLogP value of 3.6 indicates that 2-Bumdi is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.9 Ų, 2-Bumdi exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bumdi 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 2-Bumdi?
The CAS number of 2-Bumdi is 111676-86-9.
What is the molecular formula of 2-Bumdi?
The molecular formula of 2-Bumdi is C19H28N2O2.
What is the molecular weight of 2-Bumdi?
The molecular weight of 2-Bumdi is 316.22 g/mol.
Where can I buy 2-Bumdi?
You can request a quote for 2-Bumdi directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bumdi?
Yes, KEHONG BIO provides custom synthesis services for 2-Bumdi and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.