1-(Diethylamino)-3-methyloct-4-yn-3-ol--hydrogen chloride (1/1)
TL;DR: 1-(Diethylamino)-3-methyloct-4-yn-3-ol--hydrogen chloride (1/1) (CAS 53310-26-2) is a chemical compound with molecular formula C13H26ClNO and molecular weight 247.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-(3-hydroxy-3-methyloct-4-ynyl)azanium chloride
Also Known As: 8-(Diethylamino)-3-methyl-4-octyn-3-ol hydrochloride, diethyl-(3-hydroxy-3-methyloct-4-ynyl)azanium chloride, 4-OCTYN-3-OL, 8-(DIETHYLAMINO)-3-METHYL-, HYDROCHLORIDE, 1-(Diethylamino)-3-methyloct-4-yn-3-ol--hydrogen chloride (1/1), RefChem:1054651
| Molecular Formula | C13H26ClNO |
|---|---|
| Molecular Weight | 247.17 g/mol |
| LogP | -2.14 |
| Topological Polar Surface Area | 24.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 247.17029 |
| Heavy Atoms | 16 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 53310-26-2 |
|---|---|
| SMILES | CCCC#CC(C)(CC[NH+](CC)CC)O.[Cl-] |
| InChIKey | IHKWZERAFOLAFA-UHFFFAOYSA-N |
Product Overview
1-(Diethylamino)-3-methyloct-4-yn-3-ol--hydrogen chloride (1/1) (CAS 53310-26-2), with molecular formula C13H26ClNO and molecular weight 247.17 g/mol. IUPAC: diethyl-(3-hydroxy-3-methyloct-4-ynyl)azanium chloride.
Chemical Property Profile of 1-(Diethylamino)-3-methyloct-4-yn-3-ol--hydrogen chloride (1/1)
Property Insights of 1-(Diethylamino)-3-methyloct-4-yn-3-ol--hydrogen chloride (1/1)
The XLogP value of -2.14 indicates that 1-(Diethylamino)-3-methyloct-4-yn-3-ol--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 24.7 Ų, 1-(Diethylamino)-3-methyloct-4-yn-3-ol--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Diethylamino)-3-methyloct-4-yn-3-ol--hydrogen chloride (1/1) has 2 hydrogen bond donor(s) and 2 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 1-(Diethylamino)-3-methyloct-4-yn-3-ol--hydrogen chloride (1/1)?
The CAS number of 1-(Diethylamino)-3-methyloct-4-yn-3-ol--hydrogen chloride (1/1) is 53310-26-2.
What is the molecular formula of 1-(Diethylamino)-3-methyloct-4-yn-3-ol--hydrogen chloride (1/1)?
The molecular formula of 1-(Diethylamino)-3-methyloct-4-yn-3-ol--hydrogen chloride (1/1) is C13H26ClNO.
What is the molecular weight of 1-(Diethylamino)-3-methyloct-4-yn-3-ol--hydrogen chloride (1/1)?
The molecular weight of 1-(Diethylamino)-3-methyloct-4-yn-3-ol--hydrogen chloride (1/1) is 247.17 g/mol.
Where can I buy 1-(Diethylamino)-3-methyloct-4-yn-3-ol--hydrogen chloride (1/1)?
You can request a quote for 1-(Diethylamino)-3-methyloct-4-yn-3-ol--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Diethylamino)-3-methyloct-4-yn-3-ol--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 1-(Diethylamino)-3-methyloct-4-yn-3-ol--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.