Pentasine
TL;DR: Pentasine (CAS 108133-63-7) is a chemical compound with molecular formula C30H49N6O10+ and molecular weight 653.351 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E,2S,10S)-2,10-diamino-5-[1-[(5S)-5-amino-5-carboxypentyl]-3,5-bis[(3S)-3-amino-3-carboxypropyl]pyridin-1-ium-2-yl]undec-5-enedioic acid
Also Known As: Pentasine, (E,2S,10S)-2,10-diamino-5-[1-[(5S)-5-amino-5-carboxypentyl]-3,5-bis[(3S)-3-amino-3-carboxypropyl]pyridin-1-ium-2-yl]undec-5-enedioic acid, Pyridinium, 2-(6-amino-1-(3-amino-3-carboxypropyl)-6-carboxy-1-hexenyl)-1-(5-amino-5-carboxypentyl)-3,5-bis(3-amino-3-carboxypropyl)-, (1(S)-(1(R*),2(1(R*),6R*),3(R*),5(R*)))-, (E,2S,10S)-2,10-diamino-5-[3,5-bis[(3S)-3-amino-4-hydroxy-4-oxobutyl]-1-[(5S)-5-amino-6-hydroxy-6-oxohexyl]pyridin-1-ium-2-yl]undec-5-enedioic acid
Technical Specifications
| Molecular Formula | C30H49N6O10+ |
| Molecular Weight | 653.351 g/mol |
| XLogP | -12.2 |
| Topological Polar Surface Area (TPSA) | 320.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 24 |
| Exact Mass | 653.351 Da |
| Heavy Atoms | 46 |
| Complexity | 1040.0 |
| SMILES | C1=C(C=[N+](C(=C1CC[C@@H](C(=O)O)N)/C(=C/CCC[C@@H](C(=O)O)N)/CC[C@@H](C(=O)O)N)CCCC[C@@H](C(=O)O)N)CC[C@@H](C(=O)O)N |
| InChIKey | PQAACQBDHKVCSF-ZJGVIXKBSA-O |
Chemical Property Profile of Pentasine
Property Insights of Pentasine
The XLogP value of -12.2 indicates that Pentasine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 320.0 Ų indicates high polarity, suggesting Pentasine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pentasine has 10 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Pentasine?
The CAS number of Pentasine is 108133-63-7.
What is the molecular formula of Pentasine?
The molecular formula of Pentasine is C30H49N6O10+.
What is the molecular weight of Pentasine?
The molecular weight of Pentasine is 653.351 g/mol.
Where can I buy Pentasine?
You can request a quote for Pentasine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pentasine?
Yes, CoreyChem provides custom synthesis services for Pentasine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.