Alanine, 3-phenyl-, octyl ester, hydrochloride, DL-
TL;DR: Alanine, 3-phenyl-, octyl ester, hydrochloride, DL- (CAS 49554-10-1) is a chemical compound with molecular formula C17H28ClNO2 and molecular weight 313.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl (2S)-2-amino-3-phenylpropanoate;hydrochloride
Also Known As: DL-3-Phenylalanine octyl ester hydrochloride, Alanine, 3-phenyl-, octyl ester, hydrochloride, DL-, octyl (2S)-2-amino-3-phenylpropanoate;hydrochloride, Octyl L-phenylalaninate--hydrogen chloride (1/1), octyl (2S)-2-amino-3-phenylpropanoate hydrochloride
| Molecular Formula | C17H28ClNO2 |
|---|---|
| Molecular Weight | 313.18 g/mol |
| LogP | 3.8819 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 313.18085 |
| Heavy Atoms | 21 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 49554-10-1 |
|---|---|
| SMILES | CCCCCCCCOC(=O)[C@H](CC1=CC=CC=C1)N.Cl |
| InChIKey | LCMSTKOWXRZFRM-NTISSMGPSA-N |
Product Overview
Alanine, 3-phenyl-, octyl ester, hydrochloride, DL- (CAS 49554-10-1), with molecular formula C17H28ClNO2 and molecular weight 313.18 g/mol. IUPAC: octyl (2S)-2-amino-3-phenylpropanoate;hydrochloride.
Chemical Property Profile of Alanine, 3-phenyl-, octyl ester, hydrochloride, DL-
Property Insights of Alanine, 3-phenyl-, octyl ester, hydrochloride, DL-
The XLogP value of 3.8819 indicates that Alanine, 3-phenyl-, octyl ester, hydrochloride, DL- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.3 Ų, Alanine, 3-phenyl-, octyl ester, hydrochloride, DL- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Alanine, 3-phenyl-, octyl ester, hydrochloride, DL- 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 Alanine, 3-phenyl-, octyl ester, hydrochloride, DL-?
The CAS number of Alanine, 3-phenyl-, octyl ester, hydrochloride, DL- is 49554-10-1.
What is the molecular formula of Alanine, 3-phenyl-, octyl ester, hydrochloride, DL-?
The molecular formula of Alanine, 3-phenyl-, octyl ester, hydrochloride, DL- is C17H28ClNO2.
What is the molecular weight of Alanine, 3-phenyl-, octyl ester, hydrochloride, DL-?
The molecular weight of Alanine, 3-phenyl-, octyl ester, hydrochloride, DL- is 313.18 g/mol.
Where can I buy Alanine, 3-phenyl-, octyl ester, hydrochloride, DL-?
You can request a quote for Alanine, 3-phenyl-, octyl ester, hydrochloride, DL- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alanine, 3-phenyl-, octyl ester, hydrochloride, DL-?
Yes, KEHONG BIO provides custom synthesis services for Alanine, 3-phenyl-, octyl ester, hydrochloride, DL- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.