QN632M4X8J
TL;DR: QN632M4X8J (CAS 776993-45-4) is a chemical compound with molecular formula C38H40N12O8S2 and molecular weight 856.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[4-anilino-6-(2-methoxyethylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-anilino-6-(2-methoxyethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
Also Known As: 2,2'-(1,2-Ethenediyl)bis(5-((4-((2-methoxyethyl)amino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)benzenesulfonic acid), 4,4'-Bis(4-anilino-6-((2-methoxyethyl)amino)-S-triazin-2-ylamino)stilbene-2,2'-disulfonic acid, Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-((2-methoxyethyl)amino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-, 5-[[4-anilino-6-(2-methoxyethylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-anilino-6-(2-methoxyethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
| Molecular Formula | C38H40N12O8S2 |
|---|---|
| Molecular Weight | 856.25 g/mol |
| LogP | 5.8114 |
| Topological Polar Surface Area | 276.72 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 20 |
| Exact Mass | 856.25336 |
| Heavy Atoms | 60 |
| Complexity | 2478.4497 |
Chemical Identifiers
| CAS Number | 776993-45-4 |
|---|---|
| SMILES | COCCNC1=NC(=NC(=N1)NC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=CC=C5)NCCOC)S(=O)(=O)O)S(=O)(=O)O)NC6=CC=CC=C6 |
Product Overview
QN632M4X8J (CAS 776993-45-4), with molecular formula C38H40N12O8S2 and molecular weight 856.25 g/mol. IUPAC: 5-[[4-anilino-6-(2-methoxyethylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-anilino-6-(2-methoxyethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid.
Chemical Property Profile of QN632M4X8J
Property Insights of QN632M4X8J
The XLogP value of 5.8114 indicates that QN632M4X8J is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 276.72 Ų indicates high polarity, suggesting QN632M4X8J may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, QN632M4X8J has 8 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of QN632M4X8J?
The CAS number of QN632M4X8J is 776993-45-4.
What is the molecular formula of QN632M4X8J?
The molecular formula of QN632M4X8J is C38H40N12O8S2.
What is the molecular weight of QN632M4X8J?
The molecular weight of QN632M4X8J is 856.25 g/mol.
Where can I buy QN632M4X8J?
You can request a quote for QN632M4X8J directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for QN632M4X8J?
Yes, KEHONG BIO provides custom synthesis services for QN632M4X8J and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.