Nobutan
TL;DR: Nobutan (CAS 3406-44-8) is a chemical compound with molecular formula C22H44I2N4 and molecular weight 618.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-3-yl)butyl]-9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonane diiodide
Also Known As: Nobutan, Nobutane, OF 1478, 1,4-Bis(9-methyl-3,9-diazabicyclo(3,3,1)nonane-3)-butane dimethiodide, 3,3'-Tetramethylenebis(9,9-dimethyl-3-aza-9-azoniabicyclo(3.3.1)nonane) diiodide
| Molecular Formula | C22H44I2N4 |
|---|---|
| Molecular Weight | 618.17 g/mol |
| LogP | -3.6 |
| Topological Polar Surface Area | 6.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 618.1655 |
| Heavy Atoms | 28 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 3406-44-8 |
|---|---|
| SMILES | C[N+]1(C2CCCC1CN(C2)CCCCN3CC4CCCC(C3)[N+]4(C)C)C.[I-].[I-] |
| InChIKey | QVNVGTVAPQGSOF-UHFFFAOYSA-L |
Product Overview
Nobutan (CAS 3406-44-8), with molecular formula C22H44I2N4 and molecular weight 618.17 g/mol. IUPAC: 3-[4-(9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-3-yl)butyl]-9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonane diiodide.
Chemical Property Profile of Nobutan
Property Insights of Nobutan
The XLogP value of -3.6 indicates that Nobutan is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 6.5 Ų, Nobutan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nobutan has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nobutan?
The CAS number of Nobutan is 3406-44-8.
What is the molecular formula of Nobutan?
The molecular formula of Nobutan is C22H44I2N4.
What is the molecular weight of Nobutan?
The molecular weight of Nobutan is 618.17 g/mol.
Where can I buy Nobutan?
You can request a quote for Nobutan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nobutan?
Yes, KEHONG BIO provides custom synthesis services for Nobutan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.