Aprosulate
TL;DR: Aprosulate (CAS 123123-68-2) is a chemical compound with molecular formula C27H50N2O70S16 and molecular weight 2033.59 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R,3R)-1-[(1R)-2-oxo-1-sulfooxy-2-[3-[[(2R,3S,4R,5R)-2,3,5,6-tetrasulfooxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trisulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxyhexanoyl]amino]propylamino]ethyl]-3,4-disulfooxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trisulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxybutyl] hydrogen sulfate
Also Known As: Aprosulate, N,N'-Trimethylenebis(actobionamide) hexadecakis sulfate (ester), N,N'-Trimethylenebis(actobionamide) hexadecakis sulphate (ester), J1.593.130B, [(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R)-6-oxo-1,2,4,5-tetrasulfooxy-6-[3-[[(2R,3S,4R,5R)-2,3,5,6-tetrasulfooxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trisulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxyhexanoyl]amino]propylamino]hexan-3-yl]oxy-3,5-disulfooxy-6-(sulfooxymethyl)oxan-4-yl] hydrogen sulfate
| Molecular Formula | C27H50N2O70S16 |
|---|---|
| Molecular Weight | 2033.59 g/mol |
| LogP | -17.5 |
| Topological Polar Surface Area | 1250.0 Ų |
| Hydrogen Bond Donors | 18 |
| Hydrogen Bond Acceptors | 70 |
| Rotatable Bonds | 52 |
| Exact Mass | 2033.5946 |
| Heavy Atoms | 115 |
| Complexity | 4940.0 |
Chemical Identifiers
| CAS Number | 123123-68-2 |
|---|---|
| SMILES | C(CNC(=O)[C@@H]([C@H]([C@@H]([C@@H](COS(=O)(=O)O)OS(=O)(=O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)CNC(=O)[C@@H]([C@H]([C@@H]([C@@H](COS(=O)(=O)O)OS(=O)(=O)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O |
| InChIKey | KSXQTGMWWMBCIP-VXMGFIRPSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Aprosulate (CAS 123123-68-2), with molecular formula C27H50N2O70S16 and molecular weight 2033.59 g/mol. IUPAC: [(1S,2R,3R)-1-[(1R)-2-oxo-1-sulfooxy-2-[3-[[(2R,3S,4R,5R)-2,3,5,6-tetrasulfooxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trisulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxyhexanoyl]amino]propylamino]ethyl]-3,4-disulfooxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trisulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxybutyl] hydrogen sulfate.
Chemical Property Profile of Aprosulate
Property Insights of Aprosulate
The XLogP value of -17.5 indicates that Aprosulate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 1250.0 Ų indicates high polarity, suggesting Aprosulate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aprosulate has 18 hydrogen bond donor(s) and 70 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Aprosulate?
The CAS number of Aprosulate is 123123-68-2.
What is the molecular formula of Aprosulate?
The molecular formula of Aprosulate is C27H50N2O70S16.
What is the molecular weight of Aprosulate?
The molecular weight of Aprosulate is 2033.59 g/mol.
Where can I buy Aprosulate?
You can request a quote for Aprosulate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aprosulate?
Yes, KEHONG BIO provides custom synthesis services for Aprosulate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.