2-Methyl-1-phenylpropan-2-yl alaninate--hydrogen chloride (1/1)
TL;DR: 2-Methyl-1-phenylpropan-2-yl alaninate--hydrogen chloride (1/1) (CAS 57469-93-9) is a chemical compound with molecular formula C13H20ClNO2 and molecular weight 257.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(2-methyl-1-phenylpropan-2-yl)oxy-1-oxopropan-2-yl]azanium chloride
Also Known As: 1,1-Dimethyl-2-phenylethyl 2-aminopropanoate hydrochloride, ALANINE, 1,1-DIMETHYL-2-PHENYLETHYL ESTER, HYDROCHLORIDE, L-Alanine, 1,1-dimethyl-2-phenylethyl ester, hydrochloride, 2-Methyl-1-phenylpropan-2-yl alaninate--hydrogen chloride (1/1), [1-(2-methyl-1-phenylpropan-2-yl)oxy-1-oxopropan-2-yl]azanium chloride
| Molecular Formula | C13H20ClNO2 |
|---|---|
| Molecular Weight | 257.12 g/mol |
| LogP | -1.81 |
| Topological Polar Surface Area | 53.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 257.11826 |
| Heavy Atoms | 17 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 57469-93-9 |
|---|---|
| SMILES | CC(C(=O)OC(C)(C)CC1=CC=CC=C1)[NH3+].[Cl-] |
| InChIKey | BQDDNMGJTZJINH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-1-phenylpropan-2-yl alaninate--hydrogen chloride (1/1) (CAS 57469-93-9), with molecular formula C13H20ClNO2 and molecular weight 257.12 g/mol. IUPAC: [1-(2-methyl-1-phenylpropan-2-yl)oxy-1-oxopropan-2-yl]azanium chloride.
Chemical Property Profile of 2-Methyl-1-phenylpropan-2-yl alaninate--hydrogen chloride (1/1)
Property Insights of 2-Methyl-1-phenylpropan-2-yl alaninate--hydrogen chloride (1/1)
The XLogP value of -1.81 indicates that 2-Methyl-1-phenylpropan-2-yl alaninate--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 53.9 Ų, 2-Methyl-1-phenylpropan-2-yl alaninate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-1-phenylpropan-2-yl alaninate--hydrogen chloride (1/1) 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 2-Methyl-1-phenylpropan-2-yl alaninate--hydrogen chloride (1/1)?
The CAS number of 2-Methyl-1-phenylpropan-2-yl alaninate--hydrogen chloride (1/1) is 57469-93-9.
What is the molecular formula of 2-Methyl-1-phenylpropan-2-yl alaninate--hydrogen chloride (1/1)?
The molecular formula of 2-Methyl-1-phenylpropan-2-yl alaninate--hydrogen chloride (1/1) is C13H20ClNO2.
What is the molecular weight of 2-Methyl-1-phenylpropan-2-yl alaninate--hydrogen chloride (1/1)?
The molecular weight of 2-Methyl-1-phenylpropan-2-yl alaninate--hydrogen chloride (1/1) is 257.12 g/mol.
Where can I buy 2-Methyl-1-phenylpropan-2-yl alaninate--hydrogen chloride (1/1)?
You can request a quote for 2-Methyl-1-phenylpropan-2-yl alaninate--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 2-Methyl-1-phenylpropan-2-yl alaninate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-1-phenylpropan-2-yl alaninate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.