Einecs 269-693-7
TL;DR: Einecs 269-693-7 (CAS 68310-05-4) is a chemical compound with molecular formula C33H34N4O7S2 and molecular weight 662.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(N-methylethanamine);2-[6-(6-methyl-7-sulfo-1,3-benzothiazol-2-yl)quinolin-2-yl]-1,3-dioxoindene-5-carboxylic acid
Also Known As: EINECS 269-693-7, 1H-Indene-5-carboxylic acid, 2,3-dihydro-2-(6-(6-methyl-7-sulfo-2-benzothiazolyl)-2-quinolinyl)-1,3-dioxo-, compd. with N-methylmethanamine (1:2), 2,3-Dihydro-2-(6-(6-methyl-7-sulphobenzothiazol-2-yl)-2-quinolyl)-1,3-dioxo-1H-indene-5-carboxylic acid, compound with N-methylethylamine (1:2), 1H-Indene-5-carboxylic acid, 2,3-dihydro-2-[6-(6-methyl-7-sulfo-2-benzothiazolyl)-2-quinolinyl]-1,3-dioxo-, compd. with N-methylmethanamine (1:2), 2,3-dihydro-2-[6-(6-methyl-7-sulphobenzothiazol-2-yl)-2-quinolyl]-1,3-dioxo-1H-indene-5-carboxylic acid, compound with N-methylethylamine (1:2)
| Molecular Formula | C33H34N4O7S2 |
|---|---|
| Molecular Weight | 662.19 g/mol |
| LogP | 5.37902 |
| Topological Polar Surface Area | 175.65 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 662.1869 |
| Heavy Atoms | 46 |
| Complexity | 2065.8772 |
Chemical Identifiers
| CAS Number | 68310-05-4 |
|---|---|
| SMILES | CCNC.CCNC.CC1=C(C2=C(C=C1)N=C(S2)C3=CC4=C(C=C3)N=C(C=C4)C5C(=O)C6=C(C5=O)C=C(C=C6)C(=O)O)S(=O)(=O)O |
Product Overview
Einecs 269-693-7 (CAS 68310-05-4), with molecular formula C33H34N4O7S2 and molecular weight 662.19 g/mol. IUPAC: bis(N-methylethanamine);2-[6-(6-methyl-7-sulfo-1,3-benzothiazol-2-yl)quinolin-2-yl]-1,3-dioxoindene-5-carboxylic acid.
Chemical Property Profile of Einecs 269-693-7
Property Insights of Einecs 269-693-7
The XLogP value of 5.37902 indicates that Einecs 269-693-7 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 175.65 Ų indicates high polarity, suggesting Einecs 269-693-7 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Einecs 269-693-7 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 Einecs 269-693-7?
The CAS number of Einecs 269-693-7 is 68310-05-4.
What is the molecular formula of Einecs 269-693-7?
The molecular formula of Einecs 269-693-7 is C33H34N4O7S2.
What is the molecular weight of Einecs 269-693-7?
The molecular weight of Einecs 269-693-7 is 662.19 g/mol.
Where can I buy Einecs 269-693-7?
You can request a quote for Einecs 269-693-7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 269-693-7?
Yes, KEHONG BIO provides custom synthesis services for Einecs 269-693-7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.