乙酰酪氨酸乙酯
TL;DR: 乙酰酪氨酸乙酯 (CAS 840-97-1) is a chemical compound with molecular formula C13H17NO4 and molecular weight 251.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙酰酪氨酸乙酯
ethyl 2-acetamido-3-(4-hydroxyphenyl)propanoate
Also Known As: ethyl N-acetyltyrosinate, Ethyl acetyltyrosine, Ethyl acetyltyrosinate, ACETYL TYROSINE ETHYL ESTER, acetyltyrosine ethyl ester
| Molecular Formula | C13H17NO4 |
|---|---|
| Molecular Weight | 251.12 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 251.11575 |
| Heavy Atoms | 18 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 840-97-1 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C |
| InChIKey | SKAWDTAMLOJQNK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙酰酪氨酸乙酯 (CAS 840-97-1), with molecular formula C13H17NO4 and molecular weight 251.12 g/mol. IUPAC: ethyl 2-acetamido-3-(4-hydroxyphenyl)propanoate.
Chemical Property Profile of 乙酰酪氨酸乙酯
Property Insights of 乙酰酪氨酸乙酯
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 乙酰酪氨酸乙酯. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 乙酰酪氨酸乙酯. Following Lipinski's Rule of Five, 乙酰酪氨酸乙酯 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 乙酰酪氨酸乙酯?
The CAS number of 乙酰酪氨酸乙酯 is 840-97-1.
What is the molecular formula of 乙酰酪氨酸乙酯?
The molecular formula of 乙酰酪氨酸乙酯 is C13H17NO4.
What is the molecular weight of 乙酰酪氨酸乙酯?
The molecular weight of 乙酰酪氨酸乙酯 is 251.12 g/mol.
Where can I buy 乙酰酪氨酸乙酯?
You can request a quote for 乙酰酪氨酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙酰酪氨酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 乙酰酪氨酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.