O-Acetyl-3-carboxytyrosine
TL;DR: O-Acetyl-3-carboxytyrosine (CAS 3641-48-3) is a chemical compound with molecular formula C12H13NO6 and molecular weight 267.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetyloxy-5-(2-amino-2-carboxyethyl)benzoic acid
Also Known As: Aspirin-alanine, O-acetyl-3-carboxytyrosine, DL-4-Acetoxy-3-carboxyphenylalanine, Tyrosine, 3-carboxy-, acetate, DL-, 2-acetyloxy-5-(2-amino-2-carboxyethyl)benzoic acid
| Molecular Formula | C12H13NO6 |
|---|---|
| Molecular Weight | 267.07 g/mol |
| LogP | -2.1 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 267.07428 |
| Heavy Atoms | 19 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 3641-48-3 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1)CC(C(=O)O)N)C(=O)O |
| InChIKey | QAAAKWYDNOYIMB-UHFFFAOYSA-N |
Product Overview
O-Acetyl-3-carboxytyrosine (CAS 3641-48-3), with molecular formula C12H13NO6 and molecular weight 267.07 g/mol. IUPAC: 2-acetyloxy-5-(2-amino-2-carboxyethyl)benzoic acid.
Chemical Property Profile of O-Acetyl-3-carboxytyrosine
Property Insights of O-Acetyl-3-carboxytyrosine
The XLogP value of -2.1 indicates that O-Acetyl-3-carboxytyrosine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for O-Acetyl-3-carboxytyrosine. Following Lipinski's Rule of Five, O-Acetyl-3-carboxytyrosine has 3 hydrogen bond donor(s) and 7 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 O-Acetyl-3-carboxytyrosine?
The CAS number of O-Acetyl-3-carboxytyrosine is 3641-48-3.
What is the molecular formula of O-Acetyl-3-carboxytyrosine?
The molecular formula of O-Acetyl-3-carboxytyrosine is C12H13NO6.
What is the molecular weight of O-Acetyl-3-carboxytyrosine?
The molecular weight of O-Acetyl-3-carboxytyrosine is 267.07 g/mol.
Where can I buy O-Acetyl-3-carboxytyrosine?
You can request a quote for O-Acetyl-3-carboxytyrosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Acetyl-3-carboxytyrosine?
Yes, KEHONG BIO provides custom synthesis services for O-Acetyl-3-carboxytyrosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.