RefChem:80659
TL;DR: RefChem:80659 (CAS 58381-76-3) is a chemical compound with molecular formula C36H55N11O15S2 and molecular weight 945.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis(2-hydroxyethyl)amino]ethanol;5-[[4-[bis(2-hydroxyethyl)amino]-6-methoxy-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-methoxy-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethyl]benzenesulfonic acid
Also Known As: EINECS 261-232-8, 2,2'-(Ethylene)bis(5-((4-(bis(2-hydroxyethyl)amino)-6-methoxy-1,3,5-triazin-2-yl)amino)benzenesulphonic) acid, compound with 2,2',2''-nitrilotriethanol (1:2), 2,2'-(ethylene)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-methoxy-1,3,5-triazin-2-yl]amino]benzenesulphonic] acid, compound with 2,2',2''-nitrilotriethanol (1:2), Benzenesulfonic acid, 2,2'-(1,2-ethanediyl)bis(5-((4-(bis(2-hydroxyethyl)amino)-6-methoxy-1,3,5-triazin-2-yl)amino)-, compd. with 2,2',2''-nitrilotris(ethanol) (1:2), 2,2'-(Ethane-1,2-diyl)bis[5-({4-[bis(2-hydroxyethyl)amino]-6-methoxy-1,3,5-triazin-2-yl}amino)benzene-1-sulfonic acid]--2,2',2''-nitrilotri(ethan-1-ol) (1/1)
| Molecular Formula | C36H55N11O15S2 |
|---|---|
| Molecular Weight | 945.33 g/mol |
| LogP | -2.3131 |
| Topological Polar Surface Area | 379.93 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 27 |
| Exact Mass | 945.33203 |
| Heavy Atoms | 64 |
| Complexity | 2108.4563 |
Chemical Identifiers
| CAS Number | 58381-76-3 |
|---|---|
| SMILES | COC1=NC(=NC(=N1)N(CCO)CCO)NC2=CC(=C(C=C2)CCC3=C(C=C(C=C3)NC4=NC(=NC(=N4)OC)N(CCO)CCO)S(=O)(=O)O)S(=O)(=O)O.C(CO)N(CCO)CCO |
Product Overview
RefChem:80659 (CAS 58381-76-3), with molecular formula C36H55N11O15S2 and molecular weight 945.33 g/mol. IUPAC: 2-[bis(2-hydroxyethyl)amino]ethanol;5-[[4-[bis(2-hydroxyethyl)amino]-6-methoxy-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-methoxy-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethyl]benzenesulfonic acid.
Chemical Property Profile of RefChem:80659
Property Insights of RefChem:80659
The XLogP value of -2.3131 indicates that RefChem:80659 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 379.93 Ų indicates high polarity, suggesting RefChem:80659 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:80659 has 11 hydrogen bond donor(s) and 24 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:80659?
The CAS number of RefChem:80659 is 58381-76-3.
What is the molecular formula of RefChem:80659?
The molecular formula of RefChem:80659 is C36H55N11O15S2.
What is the molecular weight of RefChem:80659?
The molecular weight of RefChem:80659 is 945.33 g/mol.
Where can I buy RefChem:80659?
You can request a quote for RefChem:80659 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:80659?
Yes, KEHONG BIO provides custom synthesis services for RefChem:80659 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.