1-(2-(4-Aminophenyl)ethyl)amino-1-(hexaglucosyl)deoxyglucitol
TL;DR: 1-(2-(4-Aminophenyl)ethyl)amino-1-(hexaglucosyl)deoxyglucitol (CAS 144210-46-8) is a chemical compound with molecular formula C50H84N2O35 and molecular weight 1272.4855 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-(4-aminophenyl)ethylamino]-6-[6-[[6-[[3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyhexane-2,3,4,5-tetrol
Also Known As: 1-Apeahg, 1-(2-(4-Aminophenyl)ethyl)amino-1-(hexaglucosyl)deoxyglucitol, 1-[2-(4-aminophenyl)ethylamino]-6-[6-[[6-[[3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyhexane-2,3,4,5-tetrol, D-Glucitol, O-beta-D-glucopyranosyl-(1-3)-O-(O-beta-D-glucopyranosyl-(1-3)-O-(beta-D-glucopyranosyl-(1-6))-O-beta-D-glucopyranosyl-(1-6)-beta-D-glucopyranosyl-(1-6))-O-beta-D-glucopyranosyl-(1-6)-1-((2-(4-aminophenyl)ethyl)amino)-1-deoxy-
Technical Specifications
| Molecular Formula | C50H84N2O35 |
| Molecular Weight | 1272.4855 g/mol |
| XLogP | -13.3 |
| Topological Polar Surface Area (TPSA) | 614.0 Ų |
| Hydrogen Bond Donors | 25 |
| Hydrogen Bond Acceptors | 37 |
| Rotatable Bonds | 27 |
| Exact Mass | 1272.4855 Da |
| Heavy Atoms | 87 |
| Complexity | 2000.0 |
| SMILES | C1=CC(=CC=C1CCNCC(C(C(C(COC2C(C(C(C(O2)COC3C(C(C(C(O3)COC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)O)O)OC6C(C(C(C(O6)CO)O)O)O)O)O)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)O)O)O)O)O)N |
| InChIKey | OPOFEFXDLVVYIN-UHFFFAOYSA-N |
Chemical Property Profile of 1-(2-(4-Aminophenyl)ethyl)amino-1-(hexaglucosyl)deoxyglucitol
Property Insights of 1-(2-(4-Aminophenyl)ethyl)amino-1-(hexaglucosyl)deoxyglucitol
The XLogP value of -13.3 indicates that 1-(2-(4-Aminophenyl)ethyl)amino-1-(hexaglucosyl)deoxyglucitol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 614.0 Ų indicates high polarity, suggesting 1-(2-(4-Aminophenyl)ethyl)amino-1-(hexaglucosyl)deoxyglucitol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(2-(4-Aminophenyl)ethyl)amino-1-(hexaglucosyl)deoxyglucitol has 25 hydrogen bond donor(s) and 37 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1-(2-(4-Aminophenyl)ethyl)amino-1-(hexaglucosyl)deoxyglucitol?
The CAS number of 1-(2-(4-Aminophenyl)ethyl)amino-1-(hexaglucosyl)deoxyglucitol is 144210-46-8.
What is the molecular formula of 1-(2-(4-Aminophenyl)ethyl)amino-1-(hexaglucosyl)deoxyglucitol?
The molecular formula of 1-(2-(4-Aminophenyl)ethyl)amino-1-(hexaglucosyl)deoxyglucitol is C50H84N2O35.
What is the molecular weight of 1-(2-(4-Aminophenyl)ethyl)amino-1-(hexaglucosyl)deoxyglucitol?
The molecular weight of 1-(2-(4-Aminophenyl)ethyl)amino-1-(hexaglucosyl)deoxyglucitol is 1272.4855 g/mol.
Where can I buy 1-(2-(4-Aminophenyl)ethyl)amino-1-(hexaglucosyl)deoxyglucitol?
You can request a quote for 1-(2-(4-Aminophenyl)ethyl)amino-1-(hexaglucosyl)deoxyglucitol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(2-(4-Aminophenyl)ethyl)amino-1-(hexaglucosyl)deoxyglucitol?
Yes, CoreyChem provides custom synthesis services for 1-(2-(4-Aminophenyl)ethyl)amino-1-(hexaglucosyl)deoxyglucitol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.