Azapeptide-based compound 30
TL;DR: Azapeptide-based compound 30 (CAS 220440-79-9) is a chemical compound with molecular formula C45H64N8O11S and molecular weight 924.44 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-[[benzylcarbamothioyl(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 30, (4R)-4-[(2S)-2-Acetamido-3-carboxypropanamido]-5-{[(2S,3S)-1-({(2S)-1-[(2S,4R)-2-[2-(benzylcarbamothioyl)-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-[[benzylcarbamothioyl(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-[[benzylcarbamothioyl(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-{[(benzylcarbamothioyl)(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 | C45H64N8O11S |
|---|---|
| Molecular Weight | 924.44 g/mol |
| LogP | 1.9913 |
| Topological Polar Surface Area | 264.91 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 24 |
| Exact Mass | 924.4415 |
| Heavy Atoms | 65 |
| Complexity | 1941.5432 |
Chemical Identifiers
| CAS Number | 220440-79-9 |
|---|---|
| SMILES | CCCN(C(=S)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 |
Product Overview
Azapeptide-based compound 30 (CAS 220440-79-9), with molecular formula C45H64N8O11S and molecular weight 924.44 g/mol. IUPAC: (4R)-4-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-[[(2S,3S)-1-[[(2S)-1-[(2S,4R)-2-[[benzylcarbamothioyl(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 30
Property Insights of Azapeptide-based compound 30
The XLogP value of 1.9913 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Azapeptide-based compound 30. The TPSA of 264.91 Ų indicates high polarity, suggesting Azapeptide-based compound 30 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Azapeptide-based compound 30 has 8 hydrogen bond donor(s) and 10 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 30?
The CAS number of Azapeptide-based compound 30 is 220440-79-9.
What is the molecular formula of Azapeptide-based compound 30?
The molecular formula of Azapeptide-based compound 30 is C45H64N8O11S.
What is the molecular weight of Azapeptide-based compound 30?
The molecular weight of Azapeptide-based compound 30 is 924.44 g/mol.
Where can I buy Azapeptide-based compound 30?
You can request a quote for Azapeptide-based compound 30 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 30?
Yes, KEHONG BIO provides custom synthesis services for Azapeptide-based compound 30 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.