Acetylcysteine(asparaginyl-alanyl-asparaginyl-proline)3
TL;DR: Acetylcysteine(asparaginyl-alanyl-asparaginyl-proline)3 (CAS 110605-28-2) is a chemical compound with molecular formula C53H81N19O21S and molecular weight 1351.56 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-acetamido-3-sulfanylpropanoyl]amino]-4-amino-4-oxobutanoyl]amino]propanoyl]amino]-4-amino-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-4-amino-4-oxobutanoyl]amino]propanoyl]amino]-4-amino-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-4-amino-4-oxobutanoyl] (2S)-1-[(2S)-4-amino-2-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carboxylate
Also Known As: Acetylcysteine(asparaginyl-alanyl-asparaginyl-proline)3, 1,2,4-Thiadiazol-3-amine,N,4-bis(4-ethoxyphenyl)-4,5-dihydro-5-imino, L-Proline, N-acetyl-L-cysteinyl-L-asparaginyl-L-alanyl-L-asparaginyl-L-prolyl-L-asparaginyl-L-alanyl-L-asparaginyl-L-prolyl-L-asparaginyl-L-alanyl-L-asparaginyl-, (2S)-1-(L-Alanyl-L-asparaginyl)pyrrolidine-2-carbonyl N-acetyl-L-cysteinyl-L-asparaginyl-L-alanyl-L-asparaginyl-L-prolyl-L-asparaginyl-L-alanyl-L-asparaginyl-L-prolyl-L-asparaginate, L-Proline,N-acetyl-L-cysteinyl-L-asparaginyl-L-alanyl-L-asparaginyl-L-prolyl-L-asparaginyl-L-alanyl-L-asparaginyl-L-prolyl-L-asparaginyl-L-alanyl-L-asparaginyl-
| Molecular Formula | C53H81N19O21S |
|---|---|
| Molecular Weight | 1351.56 g/mol |
| LogP | -12.0185 |
| Topological Polar Surface Area | 650.76 Ų |
| Hydrogen Bond Donors | 17 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 35 |
| Exact Mass | 1351.5575 |
| Heavy Atoms | 94 |
| Complexity | 3006.3684 |
Chemical Identifiers
| CAS Number | 110605-28-2 |
|---|---|
| SMILES | C[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N1CCC[C@H]1C(=O)OC(=O)[C@H](CC(=O)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CS)NC(=O)C)N |
Product Overview
Acetylcysteine(asparaginyl-alanyl-asparaginyl-proline)3 (CAS 110605-28-2), with molecular formula C53H81N19O21S and molecular weight 1351.56 g/mol. IUPAC: [(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-acetamido-3-sulfanylpropanoyl]amino]-4-amino-4-oxobutanoyl]amino]propanoyl]amino]-4-amino-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-4-amino-4-oxobutanoyl]amino]propanoyl]amino]-4-amino-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-4-amino-4-oxobutanoyl] (2S)-1-[(2S)-4-amino-2-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carboxylate.
Chemical Property Profile of Acetylcysteine(asparaginyl-alanyl-asparaginyl-proline)3
Property Insights of Acetylcysteine(asparaginyl-alanyl-asparaginyl-proline)3
The XLogP value of -12.0185 indicates that Acetylcysteine(asparaginyl-alanyl-asparaginyl-proline)3 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 650.76 Ų indicates high polarity, suggesting Acetylcysteine(asparaginyl-alanyl-asparaginyl-proline)3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acetylcysteine(asparaginyl-alanyl-asparaginyl-proline)3 has 17 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetylcysteine(asparaginyl-alanyl-asparaginyl-proline)3?
The CAS number of Acetylcysteine(asparaginyl-alanyl-asparaginyl-proline)3 is 110605-28-2.
What is the molecular formula of Acetylcysteine(asparaginyl-alanyl-asparaginyl-proline)3?
The molecular formula of Acetylcysteine(asparaginyl-alanyl-asparaginyl-proline)3 is C53H81N19O21S.
What is the molecular weight of Acetylcysteine(asparaginyl-alanyl-asparaginyl-proline)3?
The molecular weight of Acetylcysteine(asparaginyl-alanyl-asparaginyl-proline)3 is 1351.56 g/mol.
Where can I buy Acetylcysteine(asparaginyl-alanyl-asparaginyl-proline)3?
You can request a quote for Acetylcysteine(asparaginyl-alanyl-asparaginyl-proline)3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetylcysteine(asparaginyl-alanyl-asparaginyl-proline)3?
Yes, KEHONG BIO provides custom synthesis services for Acetylcysteine(asparaginyl-alanyl-asparaginyl-proline)3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.