Alanine, 3-benzoyl-N-(2-hydroxyethyl)-, ethyl ester, hydrochloride
TL;DR: Alanine, 3-benzoyl-N-(2-hydroxyethyl)-, ethyl ester, hydrochloride (CAS 15121-90-1) is a chemical compound with molecular formula C14H20ClNO4 and molecular weight 301.1081 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1-ethoxy-1,4-dioxo-4-phenylbutan-2-yl)-(2-hydroxyethyl)azanium chloride
Also Known As: 3-Benzoyl-N-(2-hydroxyethyl)alanine ethyl ester hydrochloride, alpha-(2-Oxyethylamino)-beta-benzoylpropionic acid ethyl ester hydrochloride, ALANINE, 3-BENZOYL-N-(2-HYDROXYETHYL)-, ETHYL ESTER, HYDROCHLORIDE, (1-ethoxy-1,4-dioxo-4-phenylbutan-2-yl)-(2-hydroxyethyl)azanium chloride
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H20ClNO4 |
| Molecular Weight | 301.1081 g/mol |
| XLogP | -3.25 |
| Topological Polar Surface Area (TPSA) | 80.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 301.1081 Da |
| Heavy Atoms | 20 |
| Complexity | 287.0 |
| SMILES | CCOC(=O)C(CC(=O)C1=CC=CC=C1)[NH2+]CCO.[Cl-] |
| InChIKey | FHCVDWKCUIDJLP-UHFFFAOYSA-N |
Chemical Property Profile of Alanine, 3-benzoyl-N-(2-hydroxyethyl)-, ethyl ester, hydrochloride
Property Insights of Alanine, 3-benzoyl-N-(2-hydroxyethyl)-, ethyl ester, hydrochloride
The XLogP value of -3.25 indicates that Alanine, 3-benzoyl-N-(2-hydroxyethyl)-, ethyl ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Alanine, 3-benzoyl-N-(2-hydroxyethyl)-, ethyl ester, hydrochloride. Following Lipinski's Rule of Five, Alanine, 3-benzoyl-N-(2-hydroxyethyl)-, ethyl ester, hydrochloride has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Alanine, 3-benzoyl-N-(2-hydroxyethyl)-, ethyl ester, hydrochloride?
The CAS number of Alanine, 3-benzoyl-N-(2-hydroxyethyl)-, ethyl ester, hydrochloride is 15121-90-1.
What is the molecular formula of Alanine, 3-benzoyl-N-(2-hydroxyethyl)-, ethyl ester, hydrochloride?
The molecular formula of Alanine, 3-benzoyl-N-(2-hydroxyethyl)-, ethyl ester, hydrochloride is C14H20ClNO4.
What is the molecular weight of Alanine, 3-benzoyl-N-(2-hydroxyethyl)-, ethyl ester, hydrochloride?
The molecular weight of Alanine, 3-benzoyl-N-(2-hydroxyethyl)-, ethyl ester, hydrochloride is 301.1081 g/mol.
Where can I buy Alanine, 3-benzoyl-N-(2-hydroxyethyl)-, ethyl ester, hydrochloride?
You can request a quote for Alanine, 3-benzoyl-N-(2-hydroxyethyl)-, ethyl ester, hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Alanine, 3-benzoyl-N-(2-hydroxyethyl)-, ethyl ester, hydrochloride?
Yes, CoreyChem provides custom synthesis services for Alanine, 3-benzoyl-N-(2-hydroxyethyl)-, ethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.