1,1',4',1''-Trianthrimide
TL;DR: 1,1',4',1''-Trianthrimide (CAS 116-76-7) is a chemical compound with molecular formula C42H22N2O6 and molecular weight 650.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-bis[(9,10-dioxoanthracen-1-yl)amino]anthracene-9,10-dione
Also Known As: 1,4-Trianthrimid, 1,4-Trianthrimid [Czech], 1,1',4',1''-Trianthrimide, EINECS 204-156-2, 1,4',1''-Trianthrimide
| Molecular Formula | C42H22N2O6 |
|---|---|
| Molecular Weight | 650.15 g/mol |
| LogP | 7.5 |
| Topological Polar Surface Area | 126.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 650.14777 |
| Heavy Atoms | 50 |
| Complexity | 2437.4702 |
Chemical Identifiers
| CAS Number | 116-76-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NC4=C5C(=C(C=C4)NC6=CC=CC7=C6C(=O)C8=CC=CC=C8C7=O)C(=O)C9=CC=CC=C9C5=O |
Product Overview
1,1',4',1''-Trianthrimide (CAS 116-76-7), with molecular formula C42H22N2O6 and molecular weight 650.15 g/mol. IUPAC: 1,4-bis[(9,10-dioxoanthracen-1-yl)amino]anthracene-9,10-dione.
Chemical Property Profile of 1,1',4',1''-Trianthrimide
Property Insights of 1,1',4',1''-Trianthrimide
The XLogP value of 7.5 indicates that 1,1',4',1''-Trianthrimide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1',4',1''-Trianthrimide. Following Lipinski's Rule of Five, 1,1',4',1''-Trianthrimide has 2 hydrogen bond donor(s) and 8 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',4',1''-Trianthrimide?
The CAS number of 1,1',4',1''-Trianthrimide is 116-76-7.
What is the molecular formula of 1,1',4',1''-Trianthrimide?
The molecular formula of 1,1',4',1''-Trianthrimide is C42H22N2O6.
What is the molecular weight of 1,1',4',1''-Trianthrimide?
The molecular weight of 1,1',4',1''-Trianthrimide is 650.15 g/mol.
Where can I buy 1,1',4',1''-Trianthrimide?
You can request a quote for 1,1',4',1''-Trianthrimide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1',4',1''-Trianthrimide?
Yes, KEHONG BIO provides custom synthesis services for 1,1',4',1''-Trianthrimide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.