3-Chloro-O-methyltyrosine
TL;DR: 3-Chloro-O-methyltyrosine (CAS 6970-33-8) is a chemical compound with molecular formula C10H12ClNO3 and molecular weight 229.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3-(3-chloro-4-methoxyphenyl)propanoic acid
Also Known As: 3-chloro-o-methyl-d-tyrosine, 3-chloro-O-methyltyrosine, 3-Chloro-O-methyl-DL-tyrosine, 2-amino-3-(3-chloro-4-methoxyphenyl)propanoic acid, 2-amino-3-(3-chloro-4-methoxy-phenyl)propanoic acid
| Molecular Formula | C10H12ClNO3 |
|---|---|
| Molecular Weight | 229.05 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 72.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 229.05057 |
| Heavy Atoms | 15 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 6970-33-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC(C(=O)O)N)Cl |
| InChIKey | FVFCTFGTAWTEIF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloro-O-methyltyrosine (CAS 6970-33-8), with molecular formula C10H12ClNO3 and molecular weight 229.05 g/mol. IUPAC: 2-amino-3-(3-chloro-4-methoxyphenyl)propanoic acid.
Chemical Property Profile of 3-Chloro-O-methyltyrosine
Property Insights of 3-Chloro-O-methyltyrosine
The XLogP value of -1.4 indicates that 3-Chloro-O-methyltyrosine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chloro-O-methyltyrosine. Following Lipinski's Rule of Five, 3-Chloro-O-methyltyrosine 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 3-Chloro-O-methyltyrosine?
The CAS number of 3-Chloro-O-methyltyrosine is 6970-33-8.
What is the molecular formula of 3-Chloro-O-methyltyrosine?
The molecular formula of 3-Chloro-O-methyltyrosine is C10H12ClNO3.
What is the molecular weight of 3-Chloro-O-methyltyrosine?
The molecular weight of 3-Chloro-O-methyltyrosine is 229.05 g/mol.
Where can I buy 3-Chloro-O-methyltyrosine?
You can request a quote for 3-Chloro-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-Chloro-O-methyltyrosine?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-O-methyltyrosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.