Einecs 262-045-4
TL;DR: Einecs 262-045-4 (CAS 60077-41-0) is a chemical compound with molecular formula C25H28N2O8S and molecular weight 516.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis(2-hydroxyethyl)amino]ethanol;2-(1,3-dioxoinden-2-yl)-8-methylquinoline-6-sulfonic acid
Also Known As: EINECS 262-045-4, 2-(2,3-Dihydro-1,3-dioxo-1H-inden-2-yl)-8-methylquinoline-6-sulphonic acid, compound with 2,2',2''-nitrilotriethanol (1:1), 2-(1,3-Dioxo-2,3-dihydro-1H-inden-2-yl)-8-methylquinoline-6-sulfonic acid--2,2',2''-nitrilotri(ethan-1-ol) (1/1), 2-[bis(2-hydroxyethyl)amino]ethanol; 2-(1,3-dioxoinden-2-yl)-8-methylquinoline-6-sulfonic acid
| Molecular Formula | C25H28N2O8S |
|---|---|
| Molecular Weight | 516.16 g/mol |
| LogP | 1.21802 |
| Topological Polar Surface Area | 165.33 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 516.1566 |
| Heavy Atoms | 36 |
| Complexity | 1324.4673 |
Chemical Identifiers
| CAS Number | 60077-41-0 |
|---|---|
| SMILES | CC1=CC(=CC2=C1N=C(C=C2)C3C(=O)C4=CC=CC=C4C3=O)S(=O)(=O)O.C(CO)N(CCO)CCO |
Product Overview
Einecs 262-045-4 (CAS 60077-41-0), with molecular formula C25H28N2O8S and molecular weight 516.16 g/mol. IUPAC: 2-[bis(2-hydroxyethyl)amino]ethanol;2-(1,3-dioxoinden-2-yl)-8-methylquinoline-6-sulfonic acid.
Chemical Property Profile of Einecs 262-045-4
Property Insights of Einecs 262-045-4
The XLogP value of 1.21802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Einecs 262-045-4. The TPSA of 165.33 Ų indicates high polarity, suggesting Einecs 262-045-4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Einecs 262-045-4 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 262-045-4?
The CAS number of Einecs 262-045-4 is 60077-41-0.
What is the molecular formula of Einecs 262-045-4?
The molecular formula of Einecs 262-045-4 is C25H28N2O8S.
What is the molecular weight of Einecs 262-045-4?
The molecular weight of Einecs 262-045-4 is 516.16 g/mol.
Where can I buy Einecs 262-045-4?
You can request a quote for Einecs 262-045-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 262-045-4?
Yes, KEHONG BIO provides custom synthesis services for Einecs 262-045-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.