Azapeptide-based compound 28
TL;DR: Azapeptide-based compound 28 (CAS 220440-76-6) is a chemical compound with molecular formula C46H66N8O12 and molecular weight 922.48 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R)-4-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-[[(2S,3S)-1-[[(2S)-1-[(2S,4R)-2-[[[benzyl(methyl)carbamoyl]-propylamino]carbamoyl]-4-phenylmethoxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
Also Known As: Azapeptide-based compound 28, (4R)-4-[(2S)-2-Acetamido-3-carboxypropanamido]-5-{[(2S,3S)-1-({(2S)-1-[(2S,4R)-2-{2-[benzyl(methyl)carbamoyl]-2-propylhydrazine-1-carbonyl}-4-(benzyloxy)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}amino)-3-methyl-1-oxopentan-2-yl]amino}-5-oxopentanoic acid, (4R)-4-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-[[(2S,3S)-1-[[(2S)-1-[(2S,4R)-2-[[[benzyl(methyl)carbamoyl]-propylamino]carbamoyl]-4-phenylmethoxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid, (4R)-4-[[(2S)-2-acetamido-4-hydroxy-4-oxobutanoyl]amino]-5-[[(2S,3S)-1-[[(2S)-1-[(2S,4R)-2-[[[benzyl(methyl)carbamoyl]-propylamino]carbamoyl]-4-phenylmethoxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid, (4R)-4-{[(1S)-1-{[(2S)-1-[(2S,4R)-2-({[benzyl(methyl)carbamoyl](propyl)amino}carbamoyl)-4-(benzyloxy)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl}-2-methylbutyl]carbamoyl}-4-[(3S)-3-acetamido-3-formamidopropanoic acid]butanoic acid
| Molecular Formula | C46H66N8O12 |
|---|---|
| Molecular Weight | 922.48 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 273.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 24 |
| Exact Mass | 922.48004 |
| Heavy Atoms | 66 |
| Complexity | 1670.0 |
Chemical Identifiers
| CAS Number | 220440-76-6 |
|---|---|
| SMILES | CCCN(C(=O)N(C)CC1=CC=CC=C1)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C)OCC3=CC=CC=C3 |
| InChIKey | WZCOUGAHCBBTHX-JKNHPCFXSA-N |
Product Overview
Azapeptide-based compound 28 (CAS 220440-76-6), with molecular formula C46H66N8O12 and molecular weight 922.48 g/mol. IUPAC: (4R)-4-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-[[(2S,3S)-1-[[(2S)-1-[(2S,4R)-2-[[[benzyl(methyl)carbamoyl]-propylamino]carbamoyl]-4-phenylmethoxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid.
Chemical Property Profile of Azapeptide-based compound 28
Property Insights of Azapeptide-based compound 28
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Azapeptide-based compound 28. The TPSA of 273.0 Ų indicates high polarity, suggesting Azapeptide-based compound 28 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Azapeptide-based compound 28 has 7 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Azapeptide-based compound 28?
The CAS number of Azapeptide-based compound 28 is 220440-76-6.
What is the molecular formula of Azapeptide-based compound 28?
The molecular formula of Azapeptide-based compound 28 is C46H66N8O12.
What is the molecular weight of Azapeptide-based compound 28?
The molecular weight of Azapeptide-based compound 28 is 922.48 g/mol.
Where can I buy Azapeptide-based compound 28?
You can request a quote for Azapeptide-based compound 28 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Azapeptide-based compound 28?
Yes, KEHONG BIO provides custom synthesis services for Azapeptide-based compound 28 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.