(S)-Benzyl 2-amino-3-(4-hydroxyphenyl)propanoate
TL;DR: (S)-Benzyl 2-amino-3-(4-hydroxyphenyl)propanoate (CAS 42406-77-9) is a chemical compound with molecular formula C16H17NO3 and molecular weight 271.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
Also Known As: H-TYR-OBZL, l-Tyrosine benzyl ester, Benzyl tyrosinate, L-Tyr-OBzl, L-Tyrosine benzyl
| Molecular Formula | C16H17NO3 |
|---|---|
| Molecular Weight | 271.12 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 72.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 271.12085 |
| Heavy Atoms | 20 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 42406-77-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)[C@H](CC2=CC=C(C=C2)O)N |
| InChIKey | BVCTWRNVKLXEQC-HNNXBMFYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(S)-Benzyl 2-amino-3-(4-hydroxyphenyl)propanoate (CAS 42406-77-9), with molecular formula C16H17NO3 and molecular weight 271.12 g/mol. IUPAC: benzyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate.
Chemical Property Profile of (S)-Benzyl 2-amino-3-(4-hydroxyphenyl)propanoate
Property Insights of (S)-Benzyl 2-amino-3-(4-hydroxyphenyl)propanoate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-Benzyl 2-amino-3-(4-hydroxyphenyl)propanoate. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-Benzyl 2-amino-3-(4-hydroxyphenyl)propanoate. Following Lipinski's Rule of Five, (S)-Benzyl 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 (S)-Benzyl 2-amino-3-(4-hydroxyphenyl)propanoate?
The CAS number of (S)-Benzyl 2-amino-3-(4-hydroxyphenyl)propanoate is 42406-77-9.
What is the molecular formula of (S)-Benzyl 2-amino-3-(4-hydroxyphenyl)propanoate?
The molecular formula of (S)-Benzyl 2-amino-3-(4-hydroxyphenyl)propanoate is C16H17NO3.
What is the molecular weight of (S)-Benzyl 2-amino-3-(4-hydroxyphenyl)propanoate?
The molecular weight of (S)-Benzyl 2-amino-3-(4-hydroxyphenyl)propanoate is 271.12 g/mol.
Where can I buy (S)-Benzyl 2-amino-3-(4-hydroxyphenyl)propanoate?
You can request a quote for (S)-Benzyl 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 (S)-Benzyl 2-amino-3-(4-hydroxyphenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-Benzyl 2-amino-3-(4-hydroxyphenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.