3-Carboxy-O-methyltyrosine
TL;DR: 3-Carboxy-O-methyltyrosine (CAS 3641-50-7) is a chemical compound with molecular formula C11H13NO5 and molecular weight 239.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-amino-2-carboxyethyl)-2-methoxybenzoic acid
Also Known As: 3-carboxy-O-methyltyrosine, DL-3-Carboxy-4-methoxyphenylalanine, Alanine, 3-carboxy-4-methoxyphenyl-, DL-, Tyrosine, 3-carboxy-O-methyl-, DL-alpha-Amino-3-carboxy-4-methoxy-hydrocinnamic acid
| Molecular Formula | C11H13NO5 |
|---|---|
| Molecular Weight | 239.08 g/mol |
| LogP | -1.9 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 239.07938 |
| Heavy Atoms | 17 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 3641-50-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC(C(=O)O)N)C(=O)O |
| InChIKey | DXJCCIMDJQJHPX-UHFFFAOYSA-N |
Product Overview
3-Carboxy-O-methyltyrosine (CAS 3641-50-7), with molecular formula C11H13NO5 and molecular weight 239.08 g/mol. IUPAC: 5-(2-amino-2-carboxyethyl)-2-methoxybenzoic acid.
Chemical Property Profile of 3-Carboxy-O-methyltyrosine
Property Insights of 3-Carboxy-O-methyltyrosine
The XLogP value of -1.9 indicates that 3-Carboxy-O-methyltyrosine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Carboxy-O-methyltyrosine. Following Lipinski's Rule of Five, 3-Carboxy-O-methyltyrosine has 3 hydrogen bond donor(s) and 6 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 3-Carboxy-O-methyltyrosine?
The CAS number of 3-Carboxy-O-methyltyrosine is 3641-50-7.
What is the molecular formula of 3-Carboxy-O-methyltyrosine?
The molecular formula of 3-Carboxy-O-methyltyrosine is C11H13NO5.
What is the molecular weight of 3-Carboxy-O-methyltyrosine?
The molecular weight of 3-Carboxy-O-methyltyrosine is 239.08 g/mol.
Where can I buy 3-Carboxy-O-methyltyrosine?
You can request a quote for 3-Carboxy-O-methyltyrosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Carboxy-O-methyltyrosine?
Yes, KEHONG BIO provides custom synthesis services for 3-Carboxy-O-methyltyrosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.