1-(N-(N-acetylisoleucyl)-tyrosyl)amino-2-(4-hydroxyphenyl)ethylphosphonic acid
TL;DR: 1-(N-(N-acetylisoleucyl)-tyrosyl)amino-2-(4-hydroxyphenyl)ethylphosphonic acid (CAS 3609-48-1) is a chemical compound with molecular formula C29H42N3O8P and molecular weight 591.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetamido-N-[1-[[1-diethoxyphosphoryl-2-(4-hydroxyphenyl)ethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-methylpentanamide
Also Known As: Naitpep, 1-(N- amino-2- ethylphosphonicacid, 1-(N-(N-Acetylisoleucyl)-tyrosyl)amino-2-(4-hydroxyphenyl)ethylphosphonic acid, n-acetylisoleucyl-n-[1-(diethoxyphosphoryl)-2-(4-hydroxyphenyl)ethyl]tyrosinamide, 2-acetamido-N-[1-[[1-diethoxyphosphoryl-2-(4-hydroxyphenyl)ethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-methylpentanamide
| Molecular Formula | C29H42N3O8P |
|---|---|
| Molecular Weight | 591.27 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 16 |
| Exact Mass | 591.27094 |
| Heavy Atoms | 41 |
| Complexity | 864.0 |
Chemical Identifiers
| CAS Number | 3609-48-1 |
|---|---|
| SMILES | CCC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC2=CC=C(C=C2)O)P(=O)(OCC)OCC)NC(=O)C |
| InChIKey | SKCDLPJYICQYCM-UHFFFAOYSA-N |
Product Overview
1-(N-(N-acetylisoleucyl)-tyrosyl)amino-2-(4-hydroxyphenyl)ethylphosphonic acid (CAS 3609-48-1), with molecular formula C29H42N3O8P and molecular weight 591.27 g/mol. IUPAC: 2-acetamido-N-[1-[[1-diethoxyphosphoryl-2-(4-hydroxyphenyl)ethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-methylpentanamide.
Chemical Property Profile of 1-(N-(N-acetylisoleucyl)-tyrosyl)amino-2-(4-hydroxyphenyl)ethylphosphonic acid
Property Insights of 1-(N-(N-acetylisoleucyl)-tyrosyl)amino-2-(4-hydroxyphenyl)ethylphosphonic acid
The XLogP value of 3.3 indicates that 1-(N-(N-acetylisoleucyl)-tyrosyl)amino-2-(4-hydroxyphenyl)ethylphosphonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 163.0 Ų indicates high polarity, suggesting 1-(N-(N-acetylisoleucyl)-tyrosyl)amino-2-(4-hydroxyphenyl)ethylphosphonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(N-(N-acetylisoleucyl)-tyrosyl)amino-2-(4-hydroxyphenyl)ethylphosphonic acid has 5 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 1-(N-(N-acetylisoleucyl)-tyrosyl)amino-2-(4-hydroxyphenyl)ethylphosphonic acid?
The CAS number of 1-(N-(N-acetylisoleucyl)-tyrosyl)amino-2-(4-hydroxyphenyl)ethylphosphonic acid is 3609-48-1.
What is the molecular formula of 1-(N-(N-acetylisoleucyl)-tyrosyl)amino-2-(4-hydroxyphenyl)ethylphosphonic acid?
The molecular formula of 1-(N-(N-acetylisoleucyl)-tyrosyl)amino-2-(4-hydroxyphenyl)ethylphosphonic acid is C29H42N3O8P.
What is the molecular weight of 1-(N-(N-acetylisoleucyl)-tyrosyl)amino-2-(4-hydroxyphenyl)ethylphosphonic acid?
The molecular weight of 1-(N-(N-acetylisoleucyl)-tyrosyl)amino-2-(4-hydroxyphenyl)ethylphosphonic acid is 591.27 g/mol.
Where can I buy 1-(N-(N-acetylisoleucyl)-tyrosyl)amino-2-(4-hydroxyphenyl)ethylphosphonic acid?
You can request a quote for 1-(N-(N-acetylisoleucyl)-tyrosyl)amino-2-(4-hydroxyphenyl)ethylphosphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(N-(N-acetylisoleucyl)-tyrosyl)amino-2-(4-hydroxyphenyl)ethylphosphonic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(N-(N-acetylisoleucyl)-tyrosyl)amino-2-(4-hydroxyphenyl)ethylphosphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.