Acetyl-tyrosyl-prolyl-methylasparaginamide
TL;DR: Acetyl-tyrosyl-prolyl-methylasparaginamide (CAS 82867-72-9) is a chemical compound with molecular formula C21H29N5O6 and molecular weight 447.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-N-[(2S)-1-[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]-2-amino-N-methylbutanediamide
Also Known As: Acetyl-tyrosyl-prolyl-methylasparaginamide, L-Aspartamide, N-acetyl-L-tyrosyl-L-prolyl-N1-methyl-, N-(1-Hydroxyethylidene)tyrosyl-N-(2-amino-4-hydroxy-4-iminobutanoyl)-N-methylprolinamide, (2S)-N-[(2S)-1-[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]-2-amino-N-methylbutanediamide, N-(1-Hydroxyethylidene)-L-tyrosyl-N-[(2S)-2-amino-4-hydroxy-4-iminobutanoyl]-N-methyl-L-prolinamide
| Molecular Formula | C21H29N5O6 |
|---|---|
| Molecular Weight | 447.21 g/mol |
| LogP | -1.3819 |
| Topological Polar Surface Area | 176.13 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 447.2118 |
| Heavy Atoms | 32 |
| Complexity | 887.1713 |
Chemical Identifiers
| CAS Number | 82867-72-9 |
|---|---|
| SMILES | CC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N(C)C(=O)[C@H](CC(=O)N)N |
Product Overview
Acetyl-tyrosyl-prolyl-methylasparaginamide (CAS 82867-72-9), with molecular formula C21H29N5O6 and molecular weight 447.21 g/mol. IUPAC: (2S)-N-[(2S)-1-[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]-2-amino-N-methylbutanediamide.
Chemical Property Profile of Acetyl-tyrosyl-prolyl-methylasparaginamide
Property Insights of Acetyl-tyrosyl-prolyl-methylasparaginamide
The XLogP value of -1.3819 indicates that Acetyl-tyrosyl-prolyl-methylasparaginamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 176.13 Ų indicates high polarity, suggesting Acetyl-tyrosyl-prolyl-methylasparaginamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acetyl-tyrosyl-prolyl-methylasparaginamide has 4 hydrogen bond donor(s) and 7 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 Acetyl-tyrosyl-prolyl-methylasparaginamide?
The CAS number of Acetyl-tyrosyl-prolyl-methylasparaginamide is 82867-72-9.
What is the molecular formula of Acetyl-tyrosyl-prolyl-methylasparaginamide?
The molecular formula of Acetyl-tyrosyl-prolyl-methylasparaginamide is C21H29N5O6.
What is the molecular weight of Acetyl-tyrosyl-prolyl-methylasparaginamide?
The molecular weight of Acetyl-tyrosyl-prolyl-methylasparaginamide is 447.21 g/mol.
Where can I buy Acetyl-tyrosyl-prolyl-methylasparaginamide?
You can request a quote for Acetyl-tyrosyl-prolyl-methylasparaginamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetyl-tyrosyl-prolyl-methylasparaginamide?
Yes, KEHONG BIO provides custom synthesis services for Acetyl-tyrosyl-prolyl-methylasparaginamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.