Pentasine
TL;DR: Pentasine (CAS 108133-63-7) is a chemical compound with molecular formula C30H49N6O10+ and molecular weight 653.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(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, RefChem:171468
| Molecular Formula | C30H49N6O10+ |
|---|---|
| Molecular Weight | 653.35 g/mol |
| LogP | -0.597 |
| Topological Polar Surface Area | 320.48 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 24 |
| Exact Mass | 653.351 |
| Heavy Atoms | 46 |
| Complexity | 1240.7834 |
Chemical Identifiers
| CAS Number | 108133-63-7 |
|---|---|
| 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 |
Product Overview
Pentasine (CAS 108133-63-7), with molecular formula C30H49N6O10+ and molecular weight 653.35 g/mol. IUPAC: (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.
Chemical Property Profile of Pentasine
Property Insights of Pentasine
The XLogP value of -0.597 indicates that Pentasine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 320.48 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 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
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 653.35 g/mol.
Where can I buy Pentasine?
You can request a quote for Pentasine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentasine?
Yes, KEHONG BIO provides custom synthesis services for Pentasine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.