EINECS 266-453-3
TL;DR: EINECS 266-453-3 (CAS 66696-74-0) is a chemical compound with molecular formula C37H40N2O9S2 and molecular weight 720.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-amino-9,10-dioxo-3-[2-sulfo-4-(2,4,4-trimethylpentan-2-yl)phenoxy]anthracen-1-yl]amino]-2,4,6-trimethylbenzenesulfonic acid
Also Known As: EINECS 266-453-3, 3-((4-Amino-9,10-dihydro-9,10-dioxo-3-(sulpho-4-(1,1,3,3-tetramethylbutyl)phenoxy)-1-anthryl)amino)-2,4,6-trimethylbenzenesulphonic acid, 3-({4-AMINO-9,10-DIOXO-3-[2-SULFO-4-(2,4,4-TRIMETHYLPENTAN-2-YL)PHENOXY]-9,10-DIHYDROANTHRACEN-1-YL}AMINO)-2,4,6-TRIMETHYLBENZENE-1-SULFONIC ACID, 3-[[4-Amino-3-[2-sulfo-4-(1,1,3,3-tetramethylbutyl)phenoxy]-9,10-dioxo-9,10-dihydroanthracen]-1-ylamino]-2,4,6-trimethylbenzenesulfonic acid, 3-[[4-amino-9,10-dioxo-3-[2-sulfo-4-(2,4,4-trimethylpentan-2-yl)phenoxy]anthracen-1-yl]amino]-2,4,6-trimethylbenzenesulfonic acid
| Molecular Formula | C37H40N2O9S2 |
|---|---|
| Molecular Weight | 720.22 g/mol |
| LogP | 7.71256 |
| Topological Polar Surface Area | 190.16 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 720.2175 |
| Heavy Atoms | 50 |
| Complexity | 2337.5264 |
Chemical Identifiers
| CAS Number | 66696-74-0 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)OC5=C(C=C(C=C5)C(C)(C)CC(C)(C)C)S(=O)(=O)O)C)S(=O)(=O)O)C |
Product Overview
EINECS 266-453-3 (CAS 66696-74-0), with molecular formula C37H40N2O9S2 and molecular weight 720.22 g/mol. IUPAC: 3-[[4-amino-9,10-dioxo-3-[2-sulfo-4-(2,4,4-trimethylpentan-2-yl)phenoxy]anthracen-1-yl]amino]-2,4,6-trimethylbenzenesulfonic acid.
Chemical Property Profile of EINECS 266-453-3
Property Insights of EINECS 266-453-3
The XLogP value of 7.71256 indicates that EINECS 266-453-3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 190.16 Ų indicates high polarity, suggesting EINECS 266-453-3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 266-453-3 has 4 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 EINECS 266-453-3?
The CAS number of EINECS 266-453-3 is 66696-74-0.
What is the molecular formula of EINECS 266-453-3?
The molecular formula of EINECS 266-453-3 is C37H40N2O9S2.
What is the molecular weight of EINECS 266-453-3?
The molecular weight of EINECS 266-453-3 is 720.22 g/mol.
Where can I buy EINECS 266-453-3?
You can request a quote for EINECS 266-453-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 266-453-3?
Yes, KEHONG BIO provides custom synthesis services for EINECS 266-453-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.