RefChem:563975
TL;DR: RefChem:563975 (CAS 51461-29-1) is a chemical compound with molecular formula C40H40N12O14S4 and molecular weight 1040.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[4-morpholin-4-yl-6-(4-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-morpholin-4-yl-6-(4-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
Also Known As: ANTHRAQUINONE,1,5-DINITRO-2-METHYL, Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-(4-morpholinyl)-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-, 5-[[4-morpholin-4-yl-6-(4-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-morpholin-4-yl-6-(4-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid, Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-(4-morpholinyl)-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-, 4,4 -Bis[4-morpholino-6-(p-sulfoanilino)-1,3,5-triazin-2-ylamino]-2,2 -stilbenedisulfonic acid
| Molecular Formula | C40H40N12O14S4 |
|---|---|
| Molecular Weight | 1040.17 g/mol |
| LogP | 3.8614 |
| Topological Polar Surface Area | 367.88 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 16 |
| Exact Mass | 1040.167 |
| Heavy Atoms | 70 |
| Complexity | 3189.635 |
Chemical Identifiers
| CAS Number | 51461-29-1 |
|---|---|
| SMILES | C1COCCN1C2=NC(=NC(=N2)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=C(C=C6)S(=O)(=O)O)N7CCOCC7)S(=O)(=O)O)S(=O)(=O)O)NC8=CC=C(C=C8)S(=O)(=O)O |
Product Overview
RefChem:563975 (CAS 51461-29-1), with molecular formula C40H40N12O14S4 and molecular weight 1040.17 g/mol. IUPAC: 5-[[4-morpholin-4-yl-6-(4-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-morpholin-4-yl-6-(4-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid.
Chemical Property Profile of RefChem:563975
Property Insights of RefChem:563975
The XLogP value of 3.8614 indicates that RefChem:563975 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 367.88 Ų indicates high polarity, suggesting RefChem:563975 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:563975 has 8 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:563975?
The CAS number of RefChem:563975 is 51461-29-1.
What is the molecular formula of RefChem:563975?
The molecular formula of RefChem:563975 is C40H40N12O14S4.
What is the molecular weight of RefChem:563975?
The molecular weight of RefChem:563975 is 1040.17 g/mol.
Where can I buy RefChem:563975?
You can request a quote for RefChem:563975 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:563975?
Yes, KEHONG BIO provides custom synthesis services for RefChem:563975 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.