Pentosidine
TL;DR: Pentosidine (CAS 124505-87-9) is a chemical compound with molecular formula C17H26N6O4 and molecular weight 378.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-6-[2-[[(4S)-4-amino-4-carboxybutyl]amino]imidazo[4,5-b]pyridin-4-yl]hexanoic acid
Also Known As: Pentosidine, Epitope ID:140093, (2S)-2-amino-6-[2-[[(4S)-4-amino-4-carboxybutyl]amino]imidazo[4,5-b]pyridin-4-yl]hexanoic acid, 6-(2-{[(4S)-4-amino-4-carboxybutyl]amino}-4H-imidazo[4,5-b]pyridin-4-yl)-L-norleucine, (2S)-2-amino-6-(2-{[(4S)-4-amino-4-carboxybutyl]amino}-4H-imidazo[4,5-b]pyridin-4-yl)hexanoic acid
| Molecular Formula | C17H26N6O4 |
|---|---|
| Molecular Weight | 378.20 g/mol |
| LogP | -4.7 |
| Topological Polar Surface Area | 169.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 378.20154 |
| Heavy Atoms | 27 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 124505-87-9 |
|---|---|
| SMILES | C1=CN(C2=NC(=NC2=C1)NCCC[C@@H](C(=O)O)N)CCCC[C@@H](C(=O)O)N |
| InChIKey | AYEKKSTZQYEZPU-RYUDHWBXSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentosidine (CAS 124505-87-9), with molecular formula C17H26N6O4 and molecular weight 378.20 g/mol. IUPAC: (2S)-2-amino-6-[2-[[(4S)-4-amino-4-carboxybutyl]amino]imidazo[4,5-b]pyridin-4-yl]hexanoic acid.
Chemical Property Profile of Pentosidine
Property Insights of Pentosidine
The XLogP value of -4.7 indicates that Pentosidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 169.0 Ų indicates high polarity, suggesting Pentosidine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pentosidine has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pentosidine?
The CAS number of Pentosidine is 124505-87-9.
What is the molecular formula of Pentosidine?
The molecular formula of Pentosidine is C17H26N6O4.
What is the molecular weight of Pentosidine?
The molecular weight of Pentosidine is 378.20 g/mol.
Where can I buy Pentosidine?
You can request a quote for Pentosidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentosidine?
Yes, KEHONG BIO provides custom synthesis services for Pentosidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.