Caledon Red 4B
TL;DR: Caledon Red 4B (CAS 4430-70-0) is a chemical compound with molecular formula C44H24N4O8 and molecular weight 736.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-N-[4-[(1-amino-9,10-dioxoanthracene-2-carbonyl)amino]-9,10-dioxoanthracen-1-yl]-9,10-dioxoanthracene-2-carboxamide
Also Known As: Caledon Red 4B, Indanthren Rubine GR, Palanthrene Rubine GR, C.I. Vat Red 21, C.I.Vat Red 21
| Molecular Formula | C44H24N4O8 |
|---|---|
| Molecular Weight | 736.16 g/mol |
| LogP | 5.6818 |
| Topological Polar Surface Area | 212.66 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 736.1594 |
| Heavy Atoms | 56 |
| Complexity | 2747.047 |
Chemical Identifiers
| CAS Number | 4430-70-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)C(=O)NC4=C5C(=C(C=C4)NC(=O)C6=C(C7=C(C=C6)C(=O)C8=CC=CC=C8C7=O)N)C(=O)C9=CC=CC=C9C5=O)N |
Product Overview
Caledon Red 4B (CAS 4430-70-0), with molecular formula C44H24N4O8 and molecular weight 736.16 g/mol. IUPAC: 1-amino-N-[4-[(1-amino-9,10-dioxoanthracene-2-carbonyl)amino]-9,10-dioxoanthracen-1-yl]-9,10-dioxoanthracene-2-carboxamide.
Chemical Property Profile of Caledon Red 4B
Property Insights of Caledon Red 4B
The XLogP value of 5.6818 indicates that Caledon Red 4B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 212.66 Ų indicates high polarity, suggesting Caledon Red 4B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Caledon Red 4B has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Caledon Red 4B?
The CAS number of Caledon Red 4B is 4430-70-0.
What is the molecular formula of Caledon Red 4B?
The molecular formula of Caledon Red 4B is C44H24N4O8.
What is the molecular weight of Caledon Red 4B?
The molecular weight of Caledon Red 4B is 736.16 g/mol.
Where can I buy Caledon Red 4B?
You can request a quote for Caledon Red 4B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Caledon Red 4B?
Yes, KEHONG BIO provides custom synthesis services for Caledon Red 4B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.