RefChem:561480
TL;DR: RefChem:561480 (CAS 49658-80-2) is a chemical compound with molecular formula C45H26ClN7O6 and molecular weight 795.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[[4-[(5-benzamido-9,10-dioxoanthracen-1-yl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-9,10-dioxoanthracen-1-yl]benzamide
Also Known As: EINECS 256-415-4, N,N'-((6-Chloro-1,3,5-triazine-2,4-diyl)bis(imino(9,10-dihydro-9,10-dioxoanthracene-5,1-diyl)))bis(benzamide), Benzamide, N,N'-[(6-chloro-1,3,5-triazine-2,4-diyl)bis[imino(9,10-dihydro-9,10-dioxo-5,1-anthracenediyl)]]bis-, N,N'-[(6-CHLORO-1,3,5-TRIAZINE-2,4-DIYL)BIS[IMINO(9,10-DIHYDRO-9,10-DIOXOANTHRACENE-5,1-DIYL)]]BIS(BENZAMIDE), N-[5-[[4-[(5-benzamido-9,10-dioxoanthracen-1-yl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-9,10-dioxoanthracen-1-yl]benzamide
| Molecular Formula | C45H26ClN7O6 |
|---|---|
| Molecular Weight | 795.16 g/mol |
| LogP | 8.0676 |
| Topological Polar Surface Area | 189.21 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 795.1633 |
| Heavy Atoms | 59 |
| Complexity | 2777.6973 |
Chemical Identifiers
| CAS Number | 49658-80-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)NC5=NC(=NC(=N5)Cl)NC6=CC=CC7=C6C(=O)C8=C(C7=O)C(=CC=C8)NC(=O)C9=CC=CC=C9 |
Product Overview
RefChem:561480 (CAS 49658-80-2), with molecular formula C45H26ClN7O6 and molecular weight 795.16 g/mol. IUPAC: N-[5-[[4-[(5-benzamido-9,10-dioxoanthracen-1-yl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-9,10-dioxoanthracen-1-yl]benzamide.
Chemical Property Profile of RefChem:561480
Property Insights of RefChem:561480
The XLogP value of 8.0676 indicates that RefChem:561480 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 189.21 Ų indicates high polarity, suggesting RefChem:561480 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:561480 has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:561480?
The CAS number of RefChem:561480 is 49658-80-2.
What is the molecular formula of RefChem:561480?
The molecular formula of RefChem:561480 is C45H26ClN7O6.
What is the molecular weight of RefChem:561480?
The molecular weight of RefChem:561480 is 795.16 g/mol.
Where can I buy RefChem:561480?
You can request a quote for RefChem:561480 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:561480?
Yes, KEHONG BIO provides custom synthesis services for RefChem:561480 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.