Azapeptide-based compound 22
TL;DR: Azapeptide-based compound 22 (CAS 220425-46-7) is a chemical compound with molecular formula C39H58N6O13 and molecular weight 818.41 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-[[(1S)-1-carboxybutyl]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 22, (4R)-4-[[(2S)-2-acetamido-4-hydroxy-4-oxobutanoyl]amino]-5-[[(2S,3S)-1-[[(2S)-1-[(2S,4R)-2-[[(2S)-1-hydroxy-1-oxopentan-2-yl]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-{[(1S)-1-carboxybutyl]carbamoyl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl}-2-methylbutyl]carbamoyl}-4-[(3S)-3-acetamido-3-formamidopropanoic acid]butanoic acid, L-norvaline, N-acetyl-L-alpha-aspartyl-D-alpha-glutamyl-L-isoleucyl-L-valyl-(4R)-4-(phenylmethoxy)-L-prolyl-, L-Norvaline, N-acetyl-L-alpha-aspartyl-D-alpha-glutamyl-L-isoleucyl-L-valyl-(4R)-4-(phenylmethoxy)-L-prolyl- (9CI)
| Molecular Formula | C39H58N6O13 |
|---|---|
| Molecular Weight | 818.41 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 287.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 24 |
| Exact Mass | 818.4062 |
| Heavy Atoms | 58 |
| Complexity | 1470.0 |
Chemical Identifiers
| CAS Number | 220425-46-7 |
|---|---|
| SMILES | CCC[C@@H](C(=O)O)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 | AUECKNIWQAGLTA-CJCTWVLJSA-N |
Product Overview
Azapeptide-based compound 22 (CAS 220425-46-7), with molecular formula C39H58N6O13 and molecular weight 818.41 g/mol. IUPAC: (4R)-4-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-[[(2S,3S)-1-[[(2S)-1-[(2S,4R)-2-[[(1S)-1-carboxybutyl]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 22
Property Insights of Azapeptide-based compound 22
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Azapeptide-based compound 22. The TPSA of 287.0 Ų indicates high polarity, suggesting Azapeptide-based compound 22 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Azapeptide-based compound 22 has 8 hydrogen bond donor(s) and 13 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 22?
The CAS number of Azapeptide-based compound 22 is 220425-46-7.
What is the molecular formula of Azapeptide-based compound 22?
The molecular formula of Azapeptide-based compound 22 is C39H58N6O13.
What is the molecular weight of Azapeptide-based compound 22?
The molecular weight of Azapeptide-based compound 22 is 818.41 g/mol.
Where can I buy Azapeptide-based compound 22?
You can request a quote for Azapeptide-based compound 22 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 22?
Yes, KEHONG BIO provides custom synthesis services for Azapeptide-based compound 22 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.