4-Amino-3-methyl-2-phenylbutanoic acid--hydrogen chloride (1/1)
TL;DR: 4-Amino-3-methyl-2-phenylbutanoic acid--hydrogen chloride (1/1) (CAS 66859-46-9) is a chemical compound with molecular formula C11H16ClNO2 and molecular weight 229.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-carboxy-2-methyl-3-phenylpropyl)azanium chloride
Also Known As: (4-Amino-3-methyl-2-phenyl)butyric acid hydrochloride, (4-hydroxy-2-methyl-4-oxo-3-phenylbutyl)azanium chloride, BUTYRIC ACID, 4-AMINO-3-METHYL-2-PHENYL-, HYDROCHLORIDE, 4-Amino-3-methyl-2-phenylbutanoic acid--hydrogen chloride (1/1), Benzeneacetic acid, .alpha.-(2-amino-1-methylethyl)-, hydrochloride
| Molecular Formula | C11H16ClNO2 |
|---|---|
| Molecular Weight | 229.09 g/mol |
| LogP | -2.26 |
| Topological Polar Surface Area | 64.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 229.08696 |
| Heavy Atoms | 15 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 66859-46-9 |
|---|---|
| SMILES | CC(C[NH3+])C(C1=CC=CC=C1)C(=O)O.[Cl-] |
| InChIKey | GZZBJKKTDTUEKL-UHFFFAOYSA-N |
Product Overview
4-Amino-3-methyl-2-phenylbutanoic acid--hydrogen chloride (1/1) (CAS 66859-46-9), with molecular formula C11H16ClNO2 and molecular weight 229.09 g/mol. IUPAC: (3-carboxy-2-methyl-3-phenylpropyl)azanium chloride.
Chemical Property Profile of 4-Amino-3-methyl-2-phenylbutanoic acid--hydrogen chloride (1/1)
Property Insights of 4-Amino-3-methyl-2-phenylbutanoic acid--hydrogen chloride (1/1)
The XLogP value of -2.26 indicates that 4-Amino-3-methyl-2-phenylbutanoic acid--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-3-methyl-2-phenylbutanoic acid--hydrogen chloride (1/1). Following Lipinski's Rule of Five, 4-Amino-3-methyl-2-phenylbutanoic acid--hydrogen chloride (1/1) 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 4-Amino-3-methyl-2-phenylbutanoic acid--hydrogen chloride (1/1)?
The CAS number of 4-Amino-3-methyl-2-phenylbutanoic acid--hydrogen chloride (1/1) is 66859-46-9.
What is the molecular formula of 4-Amino-3-methyl-2-phenylbutanoic acid--hydrogen chloride (1/1)?
The molecular formula of 4-Amino-3-methyl-2-phenylbutanoic acid--hydrogen chloride (1/1) is C11H16ClNO2.
What is the molecular weight of 4-Amino-3-methyl-2-phenylbutanoic acid--hydrogen chloride (1/1)?
The molecular weight of 4-Amino-3-methyl-2-phenylbutanoic acid--hydrogen chloride (1/1) is 229.09 g/mol.
Where can I buy 4-Amino-3-methyl-2-phenylbutanoic acid--hydrogen chloride (1/1)?
You can request a quote for 4-Amino-3-methyl-2-phenylbutanoic acid--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 4-Amino-3-methyl-2-phenylbutanoic acid--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-3-methyl-2-phenylbutanoic acid--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.