Octyl amino(phenyl)acetate--hydrogen chloride (1/1)
TL;DR: Octyl amino(phenyl)acetate--hydrogen chloride (1/1) (CAS 69357-13-7) is a chemical compound with molecular formula C16H26ClNO2 and molecular weight 299.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-octoxy-2-oxo-1-phenylethyl)azanium chloride
Also Known As: D,L-2-Phenylglycineoctylesterhydrochlorid, D,L-2-Phenylglycineoctylesterhydrochlorid [German], (2-octoxy-2-oxo-1-phenylethyl)azanium chloride, GLYCINE, 2-PHENYL-, OCTYL ESTER, HYDROCHLORIDE, D,L-, Benzeneacetic acid, alpha-amino-, octyl ester, hydrochloride, (+-)-
| Molecular Formula | C16H26ClNO2 |
|---|---|
| Molecular Weight | 299.17 g/mol |
| LogP | -0.12 |
| Topological Polar Surface Area | 53.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 299.1652 |
| Heavy Atoms | 20 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 69357-13-7 |
|---|---|
| SMILES | CCCCCCCCOC(=O)C(C1=CC=CC=C1)[NH3+].[Cl-] |
| InChIKey | PRMJNTKULUEHLL-UHFFFAOYSA-N |
Product Overview
Octyl amino(phenyl)acetate--hydrogen chloride (1/1) (CAS 69357-13-7), with molecular formula C16H26ClNO2 and molecular weight 299.17 g/mol. IUPAC: (2-octoxy-2-oxo-1-phenylethyl)azanium chloride.
Chemical Property Profile of Octyl amino(phenyl)acetate--hydrogen chloride (1/1)
Property Insights of Octyl amino(phenyl)acetate--hydrogen chloride (1/1)
The XLogP value of -0.12 indicates that Octyl 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, Octyl amino(phenyl)acetate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octyl 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 Octyl amino(phenyl)acetate--hydrogen chloride (1/1)?
The CAS number of Octyl amino(phenyl)acetate--hydrogen chloride (1/1) is 69357-13-7.
What is the molecular formula of Octyl amino(phenyl)acetate--hydrogen chloride (1/1)?
The molecular formula of Octyl amino(phenyl)acetate--hydrogen chloride (1/1) is C16H26ClNO2.
What is the molecular weight of Octyl amino(phenyl)acetate--hydrogen chloride (1/1)?
The molecular weight of Octyl amino(phenyl)acetate--hydrogen chloride (1/1) is 299.17 g/mol.
Where can I buy Octyl amino(phenyl)acetate--hydrogen chloride (1/1)?
You can request a quote for Octyl 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 Octyl amino(phenyl)acetate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for Octyl amino(phenyl)acetate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.