Azapeptide-based compound 44
TL;DR: Azapeptide-based compound 44 (CAS 220440-58-4) is a chemical compound with molecular formula C47H68N8O12 and molecular weight 936.50 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-[[butyl-[[(1S)-1-phenylethyl]carbamoyl]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 44, (4R)-4-[(2S)-2-Acetamido-3-carboxypropanamido]-5-{[(2S,3S)-1-({(2S)-1-[(2S,4R)-4-(benzyloxy)-2-(2-butyl-2-{[(1S)-1-phenylethyl]carbamoyl}hydrazine-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-[[butyl-[[(1S)-1-phenylethyl]carbamoyl]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-[[butyl-[[(1S)-1-phenylethyl]carbamoyl]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-{[butyl({[(1S)-1-phenylethyl]carbamoyl})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 | C47H68N8O12 |
|---|---|
| Molecular Weight | 936.50 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 282.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 25 |
| Exact Mass | 936.49567 |
| Heavy Atoms | 67 |
| Complexity | 1690.0 |
Chemical Identifiers
| CAS Number | 220440-58-4 |
|---|---|
| SMILES | CCCCN(C(=O)N[C@@H](C)C1=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 | MUAGOTOIUSHWFP-VIPNNZIHSA-N |
Product Overview
Azapeptide-based compound 44 (CAS 220440-58-4), with molecular formula C47H68N8O12 and molecular weight 936.50 g/mol. IUPAC: (4R)-4-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-[[(2S,3S)-1-[[(2S)-1-[(2S,4R)-2-[[butyl-[[(1S)-1-phenylethyl]carbamoyl]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 44
Property Insights of Azapeptide-based compound 44
The XLogP value of 3.2 indicates that Azapeptide-based compound 44 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 282.0 Ų indicates high polarity, suggesting Azapeptide-based compound 44 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Azapeptide-based compound 44 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 44?
The CAS number of Azapeptide-based compound 44 is 220440-58-4.
What is the molecular formula of Azapeptide-based compound 44?
The molecular formula of Azapeptide-based compound 44 is C47H68N8O12.
What is the molecular weight of Azapeptide-based compound 44?
The molecular weight of Azapeptide-based compound 44 is 936.50 g/mol.
Where can I buy Azapeptide-based compound 44?
You can request a quote for Azapeptide-based compound 44 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 44?
Yes, KEHONG BIO provides custom synthesis services for Azapeptide-based compound 44 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.