Acetylaspartyl-valyl-aspartyl-alanine
TL;DR: Acetylaspartyl-valyl-aspartyl-alanine (CAS 93620-60-1) is a chemical compound with molecular formula C18H28N4O10 and molecular weight 460.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-acetamido-4-[[(2S)-1-[[(2S)-3-carboxy-1-[[(1S)-1-carboxyethyl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
Also Known As: Acetyl-asp-val-asp-ala, Acetylaspartyl-valyl-aspartyl-alanine, acetyl-aspartyl-valyl-aspartyl-alanine, N-Acetyl-L-alpha-aspartyl-L-valyl-L-alpha-aspartyl-L-alanine, N-(5,6-dimethoxypyrimidin-4-yl)-4-(dimethylaminodiazenyl)benzenesulfonamide
| Molecular Formula | C18H28N4O10 |
|---|---|
| Molecular Weight | 460.18 g/mol |
| LogP | -2.0 |
| Topological Polar Surface Area | 228.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 13 |
| Exact Mass | 460.18054 |
| Heavy Atoms | 32 |
| Complexity | 767.0 |
Chemical Identifiers
| CAS Number | 93620-60-1 |
|---|---|
| SMILES | C[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)C |
| InChIKey | BHXJNTBLFUDSSF-AEHQLWAISA-N |
Product Overview
Acetylaspartyl-valyl-aspartyl-alanine (CAS 93620-60-1), with molecular formula C18H28N4O10 and molecular weight 460.18 g/mol. IUPAC: (3S)-3-acetamido-4-[[(2S)-1-[[(2S)-3-carboxy-1-[[(1S)-1-carboxyethyl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid.
Chemical Property Profile of Acetylaspartyl-valyl-aspartyl-alanine
Property Insights of Acetylaspartyl-valyl-aspartyl-alanine
The XLogP value of -2.0 indicates that Acetylaspartyl-valyl-aspartyl-alanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 228.0 Ų indicates high polarity, suggesting Acetylaspartyl-valyl-aspartyl-alanine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acetylaspartyl-valyl-aspartyl-alanine has 7 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetylaspartyl-valyl-aspartyl-alanine?
The CAS number of Acetylaspartyl-valyl-aspartyl-alanine is 93620-60-1.
What is the molecular formula of Acetylaspartyl-valyl-aspartyl-alanine?
The molecular formula of Acetylaspartyl-valyl-aspartyl-alanine is C18H28N4O10.
What is the molecular weight of Acetylaspartyl-valyl-aspartyl-alanine?
The molecular weight of Acetylaspartyl-valyl-aspartyl-alanine is 460.18 g/mol.
Where can I buy Acetylaspartyl-valyl-aspartyl-alanine?
You can request a quote for Acetylaspartyl-valyl-aspartyl-alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetylaspartyl-valyl-aspartyl-alanine?
Yes, KEHONG BIO provides custom synthesis services for Acetylaspartyl-valyl-aspartyl-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.