Azapeptide-based compound 27
TL;DR: Azapeptide-based compound 27 (CAS 220440-94-8) is a chemical compound with molecular formula C46H64N8O14 and molecular weight 952.45 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-[[1,3-benzodioxol-5-ylmethylcarbamoyl(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 27, (4R)-4-[(2S)-2-Acetamido-3-carboxypropanamido]-5-{[(2S,3S)-1-({(2S)-1-[(2S,4R)-2-(2-{[(2H-1,3-benzodioxol-5-yl)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-[[1,3-benzodioxol-5-ylmethylcarbamoyl(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-[[1,3-benzodioxol-5-ylmethylcarbamoyl(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-({[(2H-1,3-benzodioxol-5-ylmethyl)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 | C46H64N8O14 |
|---|---|
| Molecular Weight | 952.45 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 300.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 24 |
| Exact Mass | 952.4542 |
| Heavy Atoms | 68 |
| Complexity | 1760.0 |
Chemical Identifiers
| CAS Number | 220440-94-8 |
|---|---|
| SMILES | CCCN(C(=O)NCC1=CC2=C(C=C1)OCO2)NC(=O)[C@@H]3C[C@H](CN3C(=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)OCC4=CC=CC=C4 |
| InChIKey | LDWPJOSLYTVLDW-JIWJADGLSA-N |
Product Overview
Azapeptide-based compound 27 (CAS 220440-94-8), with molecular formula C46H64N8O14 and molecular weight 952.45 g/mol. IUPAC: (4R)-4-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-[[(2S,3S)-1-[[(2S)-1-[(2S,4R)-2-[[1,3-benzodioxol-5-ylmethylcarbamoyl(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 27
Property Insights of Azapeptide-based compound 27
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Azapeptide-based compound 27. The TPSA of 300.0 Ų indicates high polarity, suggesting Azapeptide-based compound 27 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Azapeptide-based compound 27 has 8 hydrogen bond donor(s) and 14 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 27?
The CAS number of Azapeptide-based compound 27 is 220440-94-8.
What is the molecular formula of Azapeptide-based compound 27?
The molecular formula of Azapeptide-based compound 27 is C46H64N8O14.
What is the molecular weight of Azapeptide-based compound 27?
The molecular weight of Azapeptide-based compound 27 is 952.45 g/mol.
Where can I buy Azapeptide-based compound 27?
You can request a quote for Azapeptide-based compound 27 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 27?
Yes, KEHONG BIO provides custom synthesis services for Azapeptide-based compound 27 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.