Acetic acid, 2-amino-2-phenyl-, 3-pentyl ester, hydrochloride
TL;DR: Acetic acid, 2-amino-2-phenyl-, 3-pentyl ester, hydrochloride (CAS 73623-42-4) 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.
(2-oxo-2-pentan-3-yloxy-1-phenylethyl)azanium chloride
Also Known As: 2-Amino-2-phenylacetic acid 3-pentyl ester hydrochloride, (2-oxo-2-pentan-3-yloxy-1-phenylethyl)azanium chloride, alpha-Amino-phenylessigsaeure-isoamylester hydrochlorid, ACETIC ACID, 2-AMINO-2-PHENYL-, 3-PENTYL ESTER, HYDROCHLORIDE, alpha-Amino-phenylessigsaeure-isoamylester hydrochlorid [German]
| Molecular Formula | C13H20ClNO2 |
|---|---|
| Molecular Weight | 257.12 g/mol |
| LogP | -1.29 |
| Topological Polar Surface Area | 53.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 257.11826 |
| Heavy Atoms | 17 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 73623-42-4 |
|---|---|
| SMILES | CCC(CC)OC(=O)C(C1=CC=CC=C1)[NH3+].[Cl-] |
| InChIKey | BNNQIDDJHIXHDQ-UHFFFAOYSA-N |
Product Overview
Acetic acid, 2-amino-2-phenyl-, 3-pentyl ester, hydrochloride (CAS 73623-42-4), with molecular formula C13H20ClNO2 and molecular weight 257.12 g/mol. IUPAC: (2-oxo-2-pentan-3-yloxy-1-phenylethyl)azanium chloride.
Chemical Property Profile of Acetic acid, 2-amino-2-phenyl-, 3-pentyl ester, hydrochloride
Property Insights of Acetic acid, 2-amino-2-phenyl-, 3-pentyl ester, hydrochloride
The XLogP value of -1.29 indicates that Acetic acid, 2-amino-2-phenyl-, 3-pentyl ester, hydrochloride 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, Acetic acid, 2-amino-2-phenyl-, 3-pentyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, 2-amino-2-phenyl-, 3-pentyl ester, hydrochloride 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 Acetic acid, 2-amino-2-phenyl-, 3-pentyl ester, hydrochloride?
The CAS number of Acetic acid, 2-amino-2-phenyl-, 3-pentyl ester, hydrochloride is 73623-42-4.
What is the molecular formula of Acetic acid, 2-amino-2-phenyl-, 3-pentyl ester, hydrochloride?
The molecular formula of Acetic acid, 2-amino-2-phenyl-, 3-pentyl ester, hydrochloride is C13H20ClNO2.
What is the molecular weight of Acetic acid, 2-amino-2-phenyl-, 3-pentyl ester, hydrochloride?
The molecular weight of Acetic acid, 2-amino-2-phenyl-, 3-pentyl ester, hydrochloride is 257.12 g/mol.
Where can I buy Acetic acid, 2-amino-2-phenyl-, 3-pentyl ester, hydrochloride?
You can request a quote for Acetic acid, 2-amino-2-phenyl-, 3-pentyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, 2-amino-2-phenyl-, 3-pentyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, 2-amino-2-phenyl-, 3-pentyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.