RefChem:117765
TL;DR: RefChem:117765 (CAS 20206-64-8) is a chemical compound with molecular formula C44H58N14O12S2 and molecular weight 1038.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-aminoethanol);5-[[4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
Also Known As: Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, compd. with 2-aminoethanol (1:2), 2,2'-(Ethene-1,2-diyl)bis[5-({4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzene-1-sulfonic acid]--2-aminoethan-1-ol (1/2), Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-(bis(2-hydroxyethyl)amino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-, compd. with 2-aminoethanol (1:2), EINECS 243-594-9, RefChem:117765
| Molecular Formula | C44H58N14O12S2 |
|---|---|
| Molecular Weight | 1038.38 g/mol |
| LogP | 1.1516 |
| Topological Polar Surface Area | 431.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 24 |
| Exact Mass | 1038.38 |
| Heavy Atoms | 72 |
| Complexity | 1500.0 |
Chemical Identifiers
| CAS Number | 20206-64-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=NC(=NC(=N2)N(CCO)CCO)NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=CC=C6)N(CCO)CCO)S(=O)(=O)O)S(=O)(=O)O.C(CO)N.C(CO)N |
| InChIKey | KVSBGSSSADXAIS-UHFFFAOYSA-N |
Product Overview
RefChem:117765 (CAS 20206-64-8), with molecular formula C44H58N14O12S2 and molecular weight 1038.38 g/mol. IUPAC: bis(2-aminoethanol);5-[[4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid.
Chemical Property Profile of RefChem:117765
Property Insights of RefChem:117765
The XLogP value of 1.1516 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:117765. The TPSA of 431.0 Ų indicates high polarity, suggesting RefChem:117765 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:117765 has 14 hydrogen bond donor(s) and 26 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:117765?
The CAS number of RefChem:117765 is 20206-64-8.
What is the molecular formula of RefChem:117765?
The molecular formula of RefChem:117765 is C44H58N14O12S2.
What is the molecular weight of RefChem:117765?
The molecular weight of RefChem:117765 is 1038.38 g/mol.
Where can I buy RefChem:117765?
You can request a quote for RefChem:117765 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:117765?
Yes, KEHONG BIO provides custom synthesis services for RefChem:117765 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.