Isobutol
TL;DR: Isobutol (CAS 5408-63-9) is a chemical compound with molecular formula C17H32N5O6S- and molecular weight 434.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R)-1-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol;[2-(pyridine-4-carbonyl)hydrazinyl]methanesulfonate
Also Known As: Isobutol, Isoetham, Isoetam, KST-1A5616, KST-1A5617
| Molecular Formula | C17H32N5O6S- |
|---|---|
| Molecular Weight | 434.21 g/mol |
| LogP | -1.1263 |
| Topological Polar Surface Area | 184.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 434.20734 |
| Heavy Atoms | 29 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 5408-63-9 |
|---|---|
| SMILES | CCC[C@H](NCCN[C@@H](CC)CO)O.C1=CN=CC=C1C(=O)NNCS(=O)(=O)[O-] |
| InChIKey | UEVZYRJSEWSZEF-BAUSSPIASA-M |
Product Overview
Isobutol (CAS 5408-63-9), with molecular formula C17H32N5O6S- and molecular weight 434.21 g/mol. IUPAC: (1R)-1-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol;[2-(pyridine-4-carbonyl)hydrazinyl]methanesulfonate.
Chemical Property Profile of Isobutol
Property Insights of Isobutol
The XLogP value of -1.1263 indicates that Isobutol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 184.0 Ų indicates high polarity, suggesting Isobutol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isobutol has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isobutol?
The CAS number of Isobutol is 5408-63-9.
What is the molecular formula of Isobutol?
The molecular formula of Isobutol is C17H32N5O6S-.
What is the molecular weight of Isobutol?
The molecular weight of Isobutol is 434.21 g/mol.
Where can I buy Isobutol?
You can request a quote for Isobutol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutol?
Yes, KEHONG BIO provides custom synthesis services for Isobutol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.