Tyr-Tyr-Tyr Methyl ester
TL;DR: Tyr-Tyr-Tyr Methyl ester (CAS 53566-70-4) is a chemical compound with molecular formula C28H31N3O7 and molecular weight 521.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoate
Also Known As: Tyr-Tyr-Tyr Methyl ester, Methyl tyrosyltyrosyltyrosinate, methyl (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoate, methyl 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoate
| Molecular Formula | C28H31N3O7 |
|---|---|
| Molecular Weight | 521.22 g/mol |
| LogP | 1.3012 |
| Topological Polar Surface Area | 171.21 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 521.2162 |
| Heavy Atoms | 38 |
| Complexity | 1228.8119 |
Chemical Identifiers
| CAS Number | 53566-70-4 |
|---|---|
| SMILES | COC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CC3=CC=C(C=C3)O)N |
Product Overview
Tyr-Tyr-Tyr Methyl ester (CAS 53566-70-4), with molecular formula C28H31N3O7 and molecular weight 521.22 g/mol. IUPAC: methyl 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoate.
Chemical Property Profile of Tyr-Tyr-Tyr Methyl ester
Property Insights of Tyr-Tyr-Tyr Methyl ester
The XLogP value of 1.3012 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tyr-Tyr-Tyr Methyl ester. The TPSA of 171.21 Ų indicates high polarity, suggesting Tyr-Tyr-Tyr Methyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tyr-Tyr-Tyr Methyl ester has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tyr-Tyr-Tyr Methyl ester?
The CAS number of Tyr-Tyr-Tyr Methyl ester is 53566-70-4.
What is the molecular formula of Tyr-Tyr-Tyr Methyl ester?
The molecular formula of Tyr-Tyr-Tyr Methyl ester is C28H31N3O7.
What is the molecular weight of Tyr-Tyr-Tyr Methyl ester?
The molecular weight of Tyr-Tyr-Tyr Methyl ester is 521.22 g/mol.
Where can I buy Tyr-Tyr-Tyr Methyl ester?
You can request a quote for Tyr-Tyr-Tyr Methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tyr-Tyr-Tyr Methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Tyr-Tyr-Tyr Methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.