1,1'-((6-氯-1,3,5-三嗪-2,4-二基)二亚氨基)双蒽醌
TL;DR: 1,1'-((6-氯-1,3,5-三嗪-2,4-二基)二亚氨基)双蒽醌 (CAS 17612-57-6) is a chemical compound with molecular formula C31H16ClN5O4 and molecular weight 557.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1'-((6-氯-1,3,5-三嗪-2,4-二基)二亚氨基)双蒽醌
1-[[4-chloro-6-[(9,10-dioxoanthracen-1-yl)amino]-1,3,5-triazin-2-yl]amino]anthracene-9,10-dione
Also Known As: KST-1B1072, 1,1'-((6-Chloro-1,3,5-triazine-2,4-diyl)diimino)bisanthraquinone, 1,1'-[(6-chloro-1,3,5-triazine-2,4-diyl)diimino]di(9,10-anthraquinone), 1-[[4-chloro-6-[(9,10-dioxoanthracen-1-yl)amino]-1,3,5-triazin-2-yl]amino]anthracene-9,10-dione, 1,1'-((6-Chloro-1,3,5-triazine-2,4-diyl)bis(azanediyl))bis(anthracene-9,10-dione)
| Molecular Formula | C31H16ClN5O4 |
|---|---|
| Molecular Weight | 557.09 g/mol |
| LogP | 7.7 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 557.0891 |
| Heavy Atoms | 41 |
| Complexity | 993.0 |
Chemical Identifiers
| CAS Number | 17612-57-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NC4=NC(=NC(=N4)Cl)NC5=CC=CC6=C5C(=O)C7=CC=CC=C7C6=O |
| InChIKey | KHPBJIXNYDHOLY-UHFFFAOYSA-N |
Product Overview
1,1'-((6-氯-1,3,5-三嗪-2,4-二基)二亚氨基)双蒽醌 (CAS 17612-57-6), with molecular formula C31H16ClN5O4 and molecular weight 557.09 g/mol. IUPAC: 1-[[4-chloro-6-[(9,10-dioxoanthracen-1-yl)amino]-1,3,5-triazin-2-yl]amino]anthracene-9,10-dione.
Chemical Property Profile of 1,1'-((6-氯-1,3,5-三嗪-2,4-二基)二亚氨基)双蒽醌
Property Insights of 1,1'-((6-氯-1,3,5-三嗪-2,4-二基)二亚氨基)双蒽醌
The XLogP value of 7.7 indicates that 1,1'-((6-氯-1,3,5-三嗪-2,4-二基)二亚氨基)双蒽醌 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1'-((6-氯-1,3,5-三嗪-2,4-二基)二亚氨基)双蒽醌. Following Lipinski's Rule of Five, 1,1'-((6-氯-1,3,5-三嗪-2,4-二基)二亚氨基)双蒽醌 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1'-((6-氯-1,3,5-三嗪-2,4-二基)二亚氨基)双蒽醌?
The CAS number of 1,1'-((6-氯-1,3,5-三嗪-2,4-二基)二亚氨基)双蒽醌 is 17612-57-6.
What is the molecular formula of 1,1'-((6-氯-1,3,5-三嗪-2,4-二基)二亚氨基)双蒽醌?
The molecular formula of 1,1'-((6-氯-1,3,5-三嗪-2,4-二基)二亚氨基)双蒽醌 is C31H16ClN5O4.
What is the molecular weight of 1,1'-((6-氯-1,3,5-三嗪-2,4-二基)二亚氨基)双蒽醌?
The molecular weight of 1,1'-((6-氯-1,3,5-三嗪-2,4-二基)二亚氨基)双蒽醌 is 557.09 g/mol.
Where can I buy 1,1'-((6-氯-1,3,5-三嗪-2,4-二基)二亚氨基)双蒽醌?
You can request a quote for 1,1'-((6-氯-1,3,5-三嗪-2,4-二基)二亚氨基)双蒽醌 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-((6-氯-1,3,5-三嗪-2,4-二基)二亚氨基)双蒽醌?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-((6-氯-1,3,5-三嗪-2,4-二基)二亚氨基)双蒽醌 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.