Azapeptide-based compound 26
TL;DR: Azapeptide-based compound 26 (CAS 220440-51-7) is a chemical compound with molecular formula C45H64N8O12 and molecular weight 908.46 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-[[benzylcarbamoyl(propyl)amino]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 26, (4R)-4-[(2S)-2-Acetamido-3-carboxypropanamido]-5-{[(2S,3S)-1-({(2S)-1-[(2S,4R)-2-[2-(benzylcarbamoyl)-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-[[benzylcarbamoyl(propyl)amino]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-[[benzylcarbamoyl(propyl)amino]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-{[(benzylcarbamoyl)(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 | C45H64N8O12 |
|---|---|
| Molecular Weight | 908.46 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 282.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 24 |
| Exact Mass | 908.46436 |
| Heavy Atoms | 65 |
| Complexity | 1630.0 |
Chemical Identifiers
| CAS Number | 220440-51-7 |
|---|---|
| SMILES | CCCN(C(=O)NCC1=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 | OKRNLCHFEMYBGU-YEFARLPMSA-N |
Product Overview
Azapeptide-based compound 26 (CAS 220440-51-7), with molecular formula C45H64N8O12 and molecular weight 908.46 g/mol. IUPAC: (4R)-4-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-[[(2S,3S)-1-[[(2S)-1-[(2S,4R)-2-[[benzylcarbamoyl(propyl)amino]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 26
Property Insights of Azapeptide-based compound 26
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Azapeptide-based compound 26. The TPSA of 282.0 Ų indicates high polarity, suggesting Azapeptide-based compound 26 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Azapeptide-based compound 26 has 8 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 26?
The CAS number of Azapeptide-based compound 26 is 220440-51-7.
What is the molecular formula of Azapeptide-based compound 26?
The molecular formula of Azapeptide-based compound 26 is C45H64N8O12.
What is the molecular weight of Azapeptide-based compound 26?
The molecular weight of Azapeptide-based compound 26 is 908.46 g/mol.
Where can I buy Azapeptide-based compound 26?
You can request a quote for Azapeptide-based compound 26 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 26?
Yes, KEHONG BIO provides custom synthesis services for Azapeptide-based compound 26 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.