2-Hexynoic acid, 4-hydroxy-4-methyl-, ammonium salt
TL;DR: 2-Hexynoic acid, 4-hydroxy-4-methyl-, ammonium salt (CAS 101564-62-9) is a chemical compound with molecular formula C7H13NO3 and molecular weight 159.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azanium 4-hydroxy-4-methylhex-2-ynoate
Also Known As: 4-Hydroxy-4-methyl-2-hexynoic acid ammonium salt, azanium 4-hydroxy-4-methylhex-2-ynoate, azanium,4-hydroxy-4-methylhex-2-ynoate, ammonium 4-hydroxy-4-methylhex-2-ynoate, 2-HEXYNOIC ACID, 4-HYDROXY-4-METHYL-, AMMONIUM SALT
| Molecular Formula | C7H13NO3 |
|---|---|
| Molecular Weight | 159.09 g/mol |
| LogP | -0.72 |
| Topological Polar Surface Area | 61.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 159.08954 |
| Heavy Atoms | 11 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 101564-62-9 |
|---|---|
| SMILES | CCC(C)(C#CC(=O)[O-])O.[NH4+] |
| InChIKey | IKRVQTZVVZGCFN-UHFFFAOYSA-N |
Product Overview
2-Hexynoic acid, 4-hydroxy-4-methyl-, ammonium salt (CAS 101564-62-9), with molecular formula C7H13NO3 and molecular weight 159.09 g/mol. IUPAC: azanium 4-hydroxy-4-methylhex-2-ynoate.
Chemical Property Profile of 2-Hexynoic acid, 4-hydroxy-4-methyl-, ammonium salt
Property Insights of 2-Hexynoic acid, 4-hydroxy-4-methyl-, ammonium salt
The XLogP value of -0.72 indicates that 2-Hexynoic acid, 4-hydroxy-4-methyl-, ammonium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hexynoic acid, 4-hydroxy-4-methyl-, ammonium salt. Following Lipinski's Rule of Five, 2-Hexynoic acid, 4-hydroxy-4-methyl-, ammonium salt has 2 hydrogen bond donor(s) and 3 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-Hexynoic acid, 4-hydroxy-4-methyl-, ammonium salt?
The CAS number of 2-Hexynoic acid, 4-hydroxy-4-methyl-, ammonium salt is 101564-62-9.
What is the molecular formula of 2-Hexynoic acid, 4-hydroxy-4-methyl-, ammonium salt?
The molecular formula of 2-Hexynoic acid, 4-hydroxy-4-methyl-, ammonium salt is C7H13NO3.
What is the molecular weight of 2-Hexynoic acid, 4-hydroxy-4-methyl-, ammonium salt?
The molecular weight of 2-Hexynoic acid, 4-hydroxy-4-methyl-, ammonium salt is 159.09 g/mol.
Where can I buy 2-Hexynoic acid, 4-hydroxy-4-methyl-, ammonium salt?
You can request a quote for 2-Hexynoic acid, 4-hydroxy-4-methyl-, ammonium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hexynoic acid, 4-hydroxy-4-methyl-, ammonium salt?
Yes, KEHONG BIO provides custom synthesis services for 2-Hexynoic acid, 4-hydroxy-4-methyl-, ammonium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.