Azapeptide-based compound 25
TL;DR: Azapeptide-based compound 25 (CAS 220440-57-3) is a chemical compound with molecular formula C38H58N8O12 and molecular weight 818.42 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-[[carbamoyl(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 25, (4R)-4-[(2S)-2-Acetamido-3-carboxypropanamido]-5-{[(2S,3S)-1-({(2S)-1-[(2S,4R)-4-(benzyloxy)-2-(2-carbamoyl-2-propylhydrazine-1-carbonyl)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-[[carbamoyl(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-[[carbamoyl(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)-4-(benzyloxy)-2-{[carbamoyl(propyl)amino]carbamoyl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl}-2-methylbutyl]carbamoyl}-4-[(3S)-3-acetamido-3-formamidopropanoic acid]butanoic acid
| Molecular Formula | C38H58N8O12 |
|---|---|
| Molecular Weight | 818.42 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 296.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 22 |
| Exact Mass | 818.4174 |
| Heavy Atoms | 58 |
| Complexity | 1470.0 |
Chemical Identifiers
| CAS Number | 220440-57-3 |
|---|---|
| SMILES | CCCN(C(=O)N)NC(=O)[C@@H]1C[C@H](CN1C(=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)OCC2=CC=CC=C2 |
| InChIKey | PSSFVMHEOQVGNQ-POUHFFQPSA-N |
Product Overview
Azapeptide-based compound 25 (CAS 220440-57-3), with molecular formula C38H58N8O12 and molecular weight 818.42 g/mol. IUPAC: (4R)-4-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-[[(2S,3S)-1-[[(2S)-1-[(2S,4R)-2-[[carbamoyl(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 25
Property Insights of Azapeptide-based compound 25
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Azapeptide-based compound 25. The TPSA of 296.0 Ų indicates high polarity, suggesting Azapeptide-based compound 25 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Azapeptide-based compound 25 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 25?
The CAS number of Azapeptide-based compound 25 is 220440-57-3.
What is the molecular formula of Azapeptide-based compound 25?
The molecular formula of Azapeptide-based compound 25 is C38H58N8O12.
What is the molecular weight of Azapeptide-based compound 25?
The molecular weight of Azapeptide-based compound 25 is 818.42 g/mol.
Where can I buy Azapeptide-based compound 25?
You can request a quote for Azapeptide-based compound 25 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 25?
Yes, KEHONG BIO provides custom synthesis services for Azapeptide-based compound 25 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.