乙酰-DL-苯丙氨酸-β-萘酯
TL;DR: 乙酰-DL-苯丙氨酸-β-萘酯 (CAS 20874-31-1) is a chemical compound with molecular formula C21H19NO3 and molecular weight 333.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙酰-DL-苯丙氨酸-β-萘酯
naphthalen-2-yl 2-acetamido-3-phenylpropanoate
Also Known As: APNE, DL-APNE, l66j covy1r&mv1, N-Acetyl-DL-phenylalanine beta-naphthyl ester, N-Acetyl-dl-phenylalanine 2-naphthyl ester
| Molecular Formula | C21H19NO3 |
|---|---|
| Molecular Weight | 333.14 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 333.1365 |
| Heavy Atoms | 25 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 20874-31-1 |
|---|---|
| SMILES | CC(=O)NC(CC1=CC=CC=C1)C(=O)OC2=CC3=CC=CC=C3C=C2 |
| InChIKey | BBXRRTJNJCPGBU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙酰-DL-苯丙氨酸-β-萘酯 (CAS 20874-31-1), with molecular formula C21H19NO3 and molecular weight 333.14 g/mol. IUPAC: naphthalen-2-yl 2-acetamido-3-phenylpropanoate.
Chemical Property Profile of 乙酰-DL-苯丙氨酸-β-萘酯
Property Insights of 乙酰-DL-苯丙氨酸-β-萘酯
The XLogP value of 4.3 indicates that 乙酰-DL-苯丙氨酸-β-萘酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 乙酰-DL-苯丙氨酸-β-萘酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 乙酰-DL-苯丙氨酸-β-萘酯 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 乙酰-DL-苯丙氨酸-β-萘酯?
The CAS number of 乙酰-DL-苯丙氨酸-β-萘酯 is 20874-31-1.
What is the molecular formula of 乙酰-DL-苯丙氨酸-β-萘酯?
The molecular formula of 乙酰-DL-苯丙氨酸-β-萘酯 is C21H19NO3.
What is the molecular weight of 乙酰-DL-苯丙氨酸-β-萘酯?
The molecular weight of 乙酰-DL-苯丙氨酸-β-萘酯 is 333.14 g/mol.
Where can I buy 乙酰-DL-苯丙氨酸-β-萘酯?
You can request a quote for 乙酰-DL-苯丙氨酸-β-萘酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙酰-DL-苯丙氨酸-β-萘酯?
Yes, KEHONG BIO provides custom synthesis services for 乙酰-DL-苯丙氨酸-β-萘酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.