Asterin
TL;DR: Asterin (CAS 148057-23-2) is a chemical compound with molecular formula C25H33Cl2N5O6 and molecular weight 569.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,4R)-N-(2-aminobutanoyl)-N-[(4S,5S)-7-amino-5-formyl-4-hydroxy-1-imino-3,6-dioxo-2-phenylnonan-5-yl]-3,4-dichloropyrrolidine-2-carboxamide
Also Known As: Asterin, Astin C, Asterin (peptide), (2R,4R)-N-(2-aminobutanoyl)-N-[(4S,5S)-7-amino-5-formyl-4-hydroxy-1-imino-3,6-dioxo-2-phenylnonan-5-yl]-3,4-dichloropyrrolidine-2-carboxamide, Cyclo((R)-3-phenyl-beta-alanyl-L-2-aminobutanoyl-(2alpha,3alpha,4alpha)-3,4-dichloro-L-prolyl-L-2-aminobutanoyl-L-seryl)
| Molecular Formula | C25H33Cl2N5O6 |
|---|---|
| Molecular Weight | 569.18 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 197.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 13 |
| Exact Mass | 569.1808 |
| Heavy Atoms | 38 |
| Complexity | 917.0 |
Chemical Identifiers
| CAS Number | 148057-23-2 |
|---|---|
| SMILES | CCC(C(=O)[C@@](C=O)([C@@H](C(=O)C(C=N)C1=CC=CC=C1)O)N(C(=O)[C@@H]2C([C@@H](CN2)Cl)Cl)C(=O)C(CC)N)N |
| InChIKey | MUWSKAXEQCKXQN-KJRKMCEKSA-N |
Product Overview
Asterin (CAS 148057-23-2), with molecular formula C25H33Cl2N5O6 and molecular weight 569.18 g/mol. IUPAC: (2R,4R)-N-(2-aminobutanoyl)-N-[(4S,5S)-7-amino-5-formyl-4-hydroxy-1-imino-3,6-dioxo-2-phenylnonan-5-yl]-3,4-dichloropyrrolidine-2-carboxamide.
Chemical Property Profile of Asterin
Property Insights of Asterin
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Asterin. The TPSA of 197.0 Ų indicates high polarity, suggesting Asterin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Asterin has 5 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 Asterin?
The CAS number of Asterin is 148057-23-2.
What is the molecular formula of Asterin?
The molecular formula of Asterin is C25H33Cl2N5O6.
What is the molecular weight of Asterin?
The molecular weight of Asterin is 569.18 g/mol.
Where can I buy Asterin?
You can request a quote for Asterin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Asterin?
Yes, KEHONG BIO provides custom synthesis services for Asterin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.