4,4-Dimethylpentyl amino(phenyl)acetate--hydrogen chloride (1/1)
TL;DR: 4,4-Dimethylpentyl amino(phenyl)acetate--hydrogen chloride (1/1) (CAS 58568-02-8) is a chemical compound with molecular formula C15H24ClNO2 and molecular weight 285.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4,4-dimethylpentoxy)-2-oxo-1-phenylethyl]azanium chloride
Also Known As: DL-2-Phenylglycine 4,4-dimethylpentyl ester hydrochloride, GLYCINE, 2-PHENYL-, 4,4-DIMETHYLPENTYL ESTER, HYDROCHLORIDE, DL-, Benzeneacetic acid, alpha-amino-, 4,4-dimethylpentyl ester, hydrochloride, (+-)-, [2-(4,4-dimethylpentoxy)-2-oxo-1-phenylethyl]azanium chloride, 4,4-Dimethylpentyl amino(phenyl)acetate--hydrogen chloride (1/1)
| Molecular Formula | C15H24ClNO2 |
|---|---|
| Molecular Weight | 285.15 g/mol |
| LogP | -0.66 |
| Topological Polar Surface Area | 53.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 285.14957 |
| Heavy Atoms | 19 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 58568-02-8 |
|---|---|
| SMILES | CC(C)(C)CCCOC(=O)C(C1=CC=CC=C1)[NH3+].[Cl-] |
| InChIKey | FMBRSROHJFHPES-UHFFFAOYSA-N |
Product Overview
4,4-Dimethylpentyl amino(phenyl)acetate--hydrogen chloride (1/1) (CAS 58568-02-8), with molecular formula C15H24ClNO2 and molecular weight 285.15 g/mol. IUPAC: [2-(4,4-dimethylpentoxy)-2-oxo-1-phenylethyl]azanium chloride.
Chemical Property Profile of 4,4-Dimethylpentyl amino(phenyl)acetate--hydrogen chloride (1/1)
Property Insights of 4,4-Dimethylpentyl amino(phenyl)acetate--hydrogen chloride (1/1)
The XLogP value of -0.66 indicates that 4,4-Dimethylpentyl amino(phenyl)acetate--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, 4,4-Dimethylpentyl amino(phenyl)acetate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Dimethylpentyl amino(phenyl)acetate--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 4,4-Dimethylpentyl amino(phenyl)acetate--hydrogen chloride (1/1)?
The CAS number of 4,4-Dimethylpentyl amino(phenyl)acetate--hydrogen chloride (1/1) is 58568-02-8.
What is the molecular formula of 4,4-Dimethylpentyl amino(phenyl)acetate--hydrogen chloride (1/1)?
The molecular formula of 4,4-Dimethylpentyl amino(phenyl)acetate--hydrogen chloride (1/1) is C15H24ClNO2.
What is the molecular weight of 4,4-Dimethylpentyl amino(phenyl)acetate--hydrogen chloride (1/1)?
The molecular weight of 4,4-Dimethylpentyl amino(phenyl)acetate--hydrogen chloride (1/1) is 285.15 g/mol.
Where can I buy 4,4-Dimethylpentyl amino(phenyl)acetate--hydrogen chloride (1/1)?
You can request a quote for 4,4-Dimethylpentyl amino(phenyl)acetate--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 4,4-Dimethylpentyl amino(phenyl)acetate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dimethylpentyl amino(phenyl)acetate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.