Caspofungin Impurity 25
TL;DR: Caspofungin Impurity 25 (CAS 314080-31-4) is a chemical compound with molecular formula C50H82N8O16 and molecular weight 1050.58 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,4R)-N-[(2S,3R)-1-[(2S,4R)-2-[[(2S,3S,4S)-1-[[(2S,3R)-5-amino-1-[(2S,3S)-2-carbamoyl-3-hydroxypyrrolidin-1-yl]-3-hydroxy-1-oxopentan-2-yl]amino]-3,4-dihydroxy-4-(4-hydroxyphenyl)-1-oxobutan-2-yl]carbamoyl]-4-hydroxypyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]-1-(10,12-dimethyltetradecanoyl)-4,5-dihydroxypyrrolidine-2-carboxamide
Also Known As: Caspofungin Impurity 25, (2R,4R)-N-((2S,3R)-1-((2S,4R)-2-(((2S,3S,4S)-1-(((2S,3R)-5-amino-1-((2S,3S)-2-carbamoyl-3-hydroxypyrrolidin-1-yl)-3-hydroxy-1-oxopentan-2-yl)amino)-3,4-dihydroxy-4-(4-hydroxyphenyl)-1-oxobutan-2-yl)carbamoyl)-4-hydroxypyrrolidin-1-yl)-3-hydroxy-1-oxobutan-2-yl)-1-(10,12-dimethyltetradecanoyl)-4,5-dihydroxypyrrolidine-2-carboxamide
| Molecular Formula | C50H82N8O16 |
|---|---|
| Molecular Weight | 1050.58 g/mol |
| LogP | -2.7864 |
| Topological Polar Surface Area | 399.41 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 28 |
| Exact Mass | 1050.5848 |
| Heavy Atoms | 74 |
| Complexity | 2034.9998 |
Chemical Identifiers
| CAS Number | 314080-31-4 |
|---|---|
| SMILES | CCC(C)CC(C)CCCCCCCCC(=O)N1[C@H](C[C@H](C1O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@H]([C@@H]([C@H](C3=CC=C(C=C3)O)O)O)C(=O)N[C@@H]([C@@H](CCN)O)C(=O)N4CC[C@@H]([C@H]4C(=O)N)O)O |
Product Overview
Caspofungin Impurity 25 (CAS 314080-31-4), with molecular formula C50H82N8O16 and molecular weight 1050.58 g/mol. IUPAC: (2R,4R)-N-[(2S,3R)-1-[(2S,4R)-2-[[(2S,3S,4S)-1-[[(2S,3R)-5-amino-1-[(2S,3S)-2-carbamoyl-3-hydroxypyrrolidin-1-yl]-3-hydroxy-1-oxopentan-2-yl]amino]-3,4-dihydroxy-4-(4-hydroxyphenyl)-1-oxobutan-2-yl]carbamoyl]-4-hydroxypyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]-1-(10,12-dimethyltetradecanoyl)-4,5-dihydroxypyrrolidine-2-carboxamide.
Chemical Property Profile of Caspofungin Impurity 25
Property Insights of Caspofungin Impurity 25
The XLogP value of -2.7864 indicates that Caspofungin Impurity 25 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 399.41 Ų indicates high polarity, suggesting Caspofungin Impurity 25 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Caspofungin Impurity 25 has 14 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Caspofungin Impurity 25?
The CAS number of Caspofungin Impurity 25 is 314080-31-4.
What is the molecular formula of Caspofungin Impurity 25?
The molecular formula of Caspofungin Impurity 25 is C50H82N8O16.
What is the molecular weight of Caspofungin Impurity 25?
The molecular weight of Caspofungin Impurity 25 is 1050.58 g/mol.
Where can I buy Caspofungin Impurity 25?
You can request a quote for Caspofungin Impurity 25 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Caspofungin Impurity 25?
Yes, KEHONG BIO provides custom synthesis services for Caspofungin Impurity 25 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.