N-acetyltyrosine 1-naphthyl ester
TL;DR: N-acetyltyrosine 1-naphthyl ester (CAS 71258-95-2) is a chemical compound with molecular formula C21H19NO4 and molecular weight 349.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
naphthalen-1-yl (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoate
Also Known As: ATNE, N-Acetyltyrosine 1-naphthyl ester, N-acetyltyrosine1-naphthylester, Acetyl-L-tyrosine-alpha-naphthyl ester, Naphthalen-1-yl N-acetyl-L-tyrosinate
| Molecular Formula | C21H19NO4 |
|---|---|
| Molecular Weight | 349.13 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 349.1314 |
| Heavy Atoms | 26 |
| Complexity | 486.0 |
Chemical Identifiers
| CAS Number | 71258-95-2 |
|---|---|
| SMILES | CC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)OC2=CC=CC3=CC=CC=C32 |
| InChIKey | YPCJZFIQGJRGNV-IBGZPJMESA-N |
Product Overview
N-acetyltyrosine 1-naphthyl ester (CAS 71258-95-2), with molecular formula C21H19NO4 and molecular weight 349.13 g/mol. IUPAC: naphthalen-1-yl (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoate.
Chemical Property Profile of N-acetyltyrosine 1-naphthyl ester
Property Insights of N-acetyltyrosine 1-naphthyl ester
The XLogP value of 3.9 indicates that N-acetyltyrosine 1-naphthyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-acetyltyrosine 1-naphthyl ester. Following Lipinski's Rule of Five, N-acetyltyrosine 1-naphthyl ester has 2 hydrogen bond donor(s) and 4 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 N-acetyltyrosine 1-naphthyl ester?
The CAS number of N-acetyltyrosine 1-naphthyl ester is 71258-95-2.
What is the molecular formula of N-acetyltyrosine 1-naphthyl ester?
The molecular formula of N-acetyltyrosine 1-naphthyl ester is C21H19NO4.
What is the molecular weight of N-acetyltyrosine 1-naphthyl ester?
The molecular weight of N-acetyltyrosine 1-naphthyl ester is 349.13 g/mol.
Where can I buy N-acetyltyrosine 1-naphthyl ester?
You can request a quote for N-acetyltyrosine 1-naphthyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-acetyltyrosine 1-naphthyl ester?
Yes, KEHONG BIO provides custom synthesis services for N-acetyltyrosine 1-naphthyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.