Propan-2-yl 2-amino-3-(4-hydroxyphenyl)propanoate
TL;DR: Propan-2-yl 2-amino-3-(4-hydroxyphenyl)propanoate (CAS 81084-84-6) is a chemical compound with molecular formula C12H17NO3 and molecular weight 223.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-amino-3-(4-hydroxyphenyl)propanoate
Also Known As: isopropyl tyrosinate, a-dimethyltyrosine methylester, propan-2-yl 2-amino-3-(4-hydroxyphenyl)propanoate, (S)-Isopropyl 2-amino-3-(4-hydroxyphenyl)propanoate, isopropyl 2-amino-3-(4-hydroxyphenyl)propanoate
| Molecular Formula | C12H17NO3 |
|---|---|
| Molecular Weight | 223.12 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 72.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 223.12085 |
| Heavy Atoms | 16 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 81084-84-6 |
|---|---|
| SMILES | CC(C)OC(=O)C(CC1=CC=C(C=C1)O)N |
| InChIKey | YLCSDOJYHFGZHH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propan-2-yl 2-amino-3-(4-hydroxyphenyl)propanoate (CAS 81084-84-6), with molecular formula C12H17NO3 and molecular weight 223.12 g/mol. IUPAC: propan-2-yl 2-amino-3-(4-hydroxyphenyl)propanoate.
Chemical Property Profile of Propan-2-yl 2-amino-3-(4-hydroxyphenyl)propanoate
Property Insights of Propan-2-yl 2-amino-3-(4-hydroxyphenyl)propanoate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propan-2-yl 2-amino-3-(4-hydroxyphenyl)propanoate. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Propan-2-yl 2-amino-3-(4-hydroxyphenyl)propanoate. Following Lipinski's Rule of Five, Propan-2-yl 2-amino-3-(4-hydroxyphenyl)propanoate 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 Propan-2-yl 2-amino-3-(4-hydroxyphenyl)propanoate?
The CAS number of Propan-2-yl 2-amino-3-(4-hydroxyphenyl)propanoate is 81084-84-6.
What is the molecular formula of Propan-2-yl 2-amino-3-(4-hydroxyphenyl)propanoate?
The molecular formula of Propan-2-yl 2-amino-3-(4-hydroxyphenyl)propanoate is C12H17NO3.
What is the molecular weight of Propan-2-yl 2-amino-3-(4-hydroxyphenyl)propanoate?
The molecular weight of Propan-2-yl 2-amino-3-(4-hydroxyphenyl)propanoate is 223.12 g/mol.
Where can I buy Propan-2-yl 2-amino-3-(4-hydroxyphenyl)propanoate?
You can request a quote for Propan-2-yl 2-amino-3-(4-hydroxyphenyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propan-2-yl 2-amino-3-(4-hydroxyphenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl 2-amino-3-(4-hydroxyphenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.