N-stearoyltyrosine methyl ester
TL;DR: N-stearoyltyrosine methyl ester (CAS 122445-70-9) is a chemical compound with molecular formula C28H47NO4 and molecular weight 461.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-3-(4-hydroxyphenyl)-2-(octadecanoylamino)propanoate
Also Known As: NSTME, N-Stearoyltyrosine methyl ester, N-Octadecanoyl-L-tyrosine methyl ester, L-Tyrosine,N-(1-oxooctadecyl)-, methyl ester, methyl (2S)-3-(4-hydroxyphenyl)-2-(octadecanoylamino)propanoate
| Molecular Formula | C28H47NO4 |
|---|---|
| Molecular Weight | 461.35 g/mol |
| LogP | 8.7 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 21 |
| Exact Mass | 461.3505 |
| Heavy Atoms | 33 |
| Complexity | 488.0 |
Chemical Identifiers
| CAS Number | 122445-70-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)OC |
| InChIKey | BXGLCPSPURNXQE-SANMLTNESA-N |
Product Overview
N-stearoyltyrosine methyl ester (CAS 122445-70-9), with molecular formula C28H47NO4 and molecular weight 461.35 g/mol. IUPAC: methyl (2S)-3-(4-hydroxyphenyl)-2-(octadecanoylamino)propanoate.
Chemical Property Profile of N-stearoyltyrosine methyl ester
Property Insights of N-stearoyltyrosine methyl ester
The XLogP value of 8.7 indicates that N-stearoyltyrosine methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-stearoyltyrosine methyl ester. Following Lipinski's Rule of Five, N-stearoyltyrosine methyl ester has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-stearoyltyrosine methyl ester?
The CAS number of N-stearoyltyrosine methyl ester is 122445-70-9.
What is the molecular formula of N-stearoyltyrosine methyl ester?
The molecular formula of N-stearoyltyrosine methyl ester is C28H47NO4.
What is the molecular weight of N-stearoyltyrosine methyl ester?
The molecular weight of N-stearoyltyrosine methyl ester is 461.35 g/mol.
Where can I buy N-stearoyltyrosine methyl ester?
You can request a quote for N-stearoyltyrosine methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-stearoyltyrosine methyl ester?
Yes, KEHONG BIO provides custom synthesis services for N-stearoyltyrosine methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.