Butyl 2-amino-3-(4-hydroxyphenyl)propanoate
TL;DR: Butyl 2-amino-3-(4-hydroxyphenyl)propanoate (CAS 6953-83-9) is a chemical compound with molecular formula C13H19NO3 and molecular weight 237.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-amino-3-(4-hydroxyphenyl)propanoate
Also Known As: Tyrosine, butyl ester, l-Tyrosine butyl ester, Butyl 2-amino-3-(4-hydroxyphenyl)propanoate
| Molecular Formula | C13H19NO3 |
|---|---|
| Molecular Weight | 237.14 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 72.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 237.13649 |
| Heavy Atoms | 17 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 6953-83-9 |
|---|---|
| SMILES | CCCCOC(=O)C(CC1=CC=C(C=C1)O)N |
| InChIKey | DCAUNIBIBOKWOZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl 2-amino-3-(4-hydroxyphenyl)propanoate (CAS 6953-83-9), with molecular formula C13H19NO3 and molecular weight 237.14 g/mol. IUPAC: butyl 2-amino-3-(4-hydroxyphenyl)propanoate.
Chemical Property Profile of Butyl 2-amino-3-(4-hydroxyphenyl)propanoate
Property Insights of Butyl 2-amino-3-(4-hydroxyphenyl)propanoate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 2-amino-3-(4-hydroxyphenyl)propanoate. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 2-amino-3-(4-hydroxyphenyl)propanoate. Following Lipinski's Rule of Five, Butyl 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 Butyl 2-amino-3-(4-hydroxyphenyl)propanoate?
The CAS number of Butyl 2-amino-3-(4-hydroxyphenyl)propanoate is 6953-83-9.
What is the molecular formula of Butyl 2-amino-3-(4-hydroxyphenyl)propanoate?
The molecular formula of Butyl 2-amino-3-(4-hydroxyphenyl)propanoate is C13H19NO3.
What is the molecular weight of Butyl 2-amino-3-(4-hydroxyphenyl)propanoate?
The molecular weight of Butyl 2-amino-3-(4-hydroxyphenyl)propanoate is 237.14 g/mol.
Where can I buy Butyl 2-amino-3-(4-hydroxyphenyl)propanoate?
You can request a quote for Butyl 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 Butyl 2-amino-3-(4-hydroxyphenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 2-amino-3-(4-hydroxyphenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.