(3S)-3-azaniumyl-3-(4-hydroxyphenyl)propanoate
TL;DR: (3S)-3-azaniumyl-3-(4-hydroxyphenyl)propanoate (CAS 152786-27-1) is a chemical compound with molecular formula C9H11NO3 and molecular weight 181.0739 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S)-3-azaniumyl-3-(4-hydroxyphenyl)propanoate
Also Known As: (S)-beta-tyrosine, (3S)-3-azaniumyl-3-(4-hydroxyphenyl)propanoate, (S)-3-Amino-3-(4-hydroxyphenyl)-propionic acid, (S)-3-amino-3-(4-hydroxyphenyl)propanoate, (S)-3-Amino-3-(4-hydroxyphenyl)propanoic acid
Technical Specifications
| Molecular Formula | C9H11NO3 |
| Molecular Weight | 181.0739 g/mol |
| XLogP | -1.1 |
| Topological Polar Surface Area (TPSA) | 88.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.0739 Da |
| Heavy Atoms | 13 |
| Complexity | 170.0 |
| SMILES | C1=CC(=CC=C1[C@H](CC(=O)[O-])[NH3+])O |
| InChIKey | JYPHNHPXFNEZBR-QMMMGPOBSA-N |
Chemical Property Profile of (3S)-3-azaniumyl-3-(4-hydroxyphenyl)propanoate
Property Insights of (3S)-3-azaniumyl-3-(4-hydroxyphenyl)propanoate
The XLogP value of -1.1 indicates that (3S)-3-azaniumyl-3-(4-hydroxyphenyl)propanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 88.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S)-3-azaniumyl-3-(4-hydroxyphenyl)propanoate. Following Lipinski's Rule of Five, (3S)-3-azaniumyl-3-(4-hydroxyphenyl)propanoate has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (3S)-3-azaniumyl-3-(4-hydroxyphenyl)propanoate?
The CAS number of (3S)-3-azaniumyl-3-(4-hydroxyphenyl)propanoate is 152786-27-1.
What is the molecular formula of (3S)-3-azaniumyl-3-(4-hydroxyphenyl)propanoate?
The molecular formula of (3S)-3-azaniumyl-3-(4-hydroxyphenyl)propanoate is C9H11NO3.
What is the molecular weight of (3S)-3-azaniumyl-3-(4-hydroxyphenyl)propanoate?
The molecular weight of (3S)-3-azaniumyl-3-(4-hydroxyphenyl)propanoate is 181.0739 g/mol.
Where can I buy (3S)-3-azaniumyl-3-(4-hydroxyphenyl)propanoate?
You can request a quote for (3S)-3-azaniumyl-3-(4-hydroxyphenyl)propanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3S)-3-azaniumyl-3-(4-hydroxyphenyl)propanoate?
Yes, CoreyChem provides custom synthesis services for (3S)-3-azaniumyl-3-(4-hydroxyphenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.