1-Propanol, 2-methyl-2-((2-methylpropyl)amino)-, 1-benzoate
TL;DR: 1-Propanol, 2-methyl-2-((2-methylpropyl)amino)-, 1-benzoate (CAS 14055-89-1) is a chemical compound with molecular formula C15H23NO2 and molecular weight 249.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methyl-2-(2-methylpropylamino)propyl] benzoate
Also Known As: [2-methyl-2-(2-methylpropylamino)propyl] benzoate|2-(Isobutylamino)-2-methylpropyl benzoate|2-methyl-2-[(2-methylpropyl)amino]propyl benzoate|Benzoic acid 2-(isobutylamino)-2-methylpropyl ester|1-Propanol, 2-(isobutylamino)-2-methyl-, benzoate (ester)|1-Propanol, 2-methyl-2-((2-methylpropyl)amino)-, 1-benzoate|2-(ISOBUTYLAMINO)-2-METHYL-1-PROPANOL BENZOATE (ESTER)|1-Propanol, 2-methyl-2-[(2-methylpropyl)amino]-, benzoate (ester)|1-PROPANOL, 2-METHYL-2-((2-METHYLPROPYL)AMINO)-, BENZOATE (ESTER)|ISOBUCAINE|RefChem:1056905|DTXCID8083931|UNII-2XV8GIV746
| Molecular Formula | C15H23NO2 |
|---|---|
| Molecular Weight | 249.17 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 249.17288 |
| Heavy Atoms | 18 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 14055-89-1 |
|---|---|
| SMILES | CC(C)CNC(C)(C)COC(=O)C1=CC=CC=C1 |
| InChIKey | YGSFZBYOMFZJPV-UHFFFAOYSA-N |
Product Overview
1-Propanol, 2-methyl-2-((2-methylpropyl)amino)-, 1-benzoate (CAS 14055-89-1), with molecular formula C15H23NO2 and molecular weight 249.17 g/mol. IUPAC: [2-methyl-2-(2-methylpropylamino)propyl] benzoate.
Chemical Property Profile of 1-Propanol, 2-methyl-2-((2-methylpropyl)amino)-, 1-benzoate
Property Insights of 1-Propanol, 2-methyl-2-((2-methylpropyl)amino)-, 1-benzoate
The XLogP value of 3.3 indicates that 1-Propanol, 2-methyl-2-((2-methylpropyl)amino)-, 1-benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 1-Propanol, 2-methyl-2-((2-methylpropyl)amino)-, 1-benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Propanol, 2-methyl-2-((2-methylpropyl)amino)-, 1-benzoate has 1 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 1-Propanol, 2-methyl-2-((2-methylpropyl)amino)-, 1-benzoate?
The CAS number of 1-Propanol, 2-methyl-2-((2-methylpropyl)amino)-, 1-benzoate is 14055-89-1.
What is the molecular formula of 1-Propanol, 2-methyl-2-((2-methylpropyl)amino)-, 1-benzoate?
The molecular formula of 1-Propanol, 2-methyl-2-((2-methylpropyl)amino)-, 1-benzoate is C15H23NO2.
What is the molecular weight of 1-Propanol, 2-methyl-2-((2-methylpropyl)amino)-, 1-benzoate?
The molecular weight of 1-Propanol, 2-methyl-2-((2-methylpropyl)amino)-, 1-benzoate is 249.17 g/mol.
Where can I buy 1-Propanol, 2-methyl-2-((2-methylpropyl)amino)-, 1-benzoate?
You can request a quote for 1-Propanol, 2-methyl-2-((2-methylpropyl)amino)-, 1-benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Propanol, 2-methyl-2-((2-methylpropyl)amino)-, 1-benzoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Propanol, 2-methyl-2-((2-methylpropyl)amino)-, 1-benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.