Einecs 262-407-1
TL;DR: Einecs 262-407-1 (CAS 60760-42-1) is a chemical compound with molecular formula C31H39N3O6S4 and molecular weight 677.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethylethanamine;3-[2-[[3-(3-sulfopropyl)-1,3-benzothiazol-2-ylidene]methyl]benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate
Also Known As: 1-(3-SULFOPROPYL)-2-[[3-(3-SULFOPROPYL)-2(3H)-BENZOTHIAZOLYLIDENE]METHYL] NAPHTHO[1,2-D]THIAZOLIUM HYDROXIDE, INNER SALT, TRIETHYLAMMONIUM SALT, N,N-diethylethanamine;3-[2-[[3-(3-sulfopropyl)-1,3-benzothiazol-2-ylidene]methyl]benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate, Naphtho(1,2-d)thiazolium, 1-(3-sulfopropyl)-2-((3-(3-sulfopropyl)-2(3H)-benzothiazolylidene)methyl)-, inner salt, compd. with N,N-diethylethanamine (1:1), Anhydro-4,5-benzo-3,3'-di(3-sulfopropyl)thiacyanine hydroxide triethylamine salt, Naphtho[1,2-d]thiazolium, 1-(3-sulfopropyl)-2-[[3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]-, inner salt, compd. with N,N-diethylethanamine (1:1)
| Molecular Formula | C31H39N3O6S4 |
|---|---|
| Molecular Weight | 677.17 g/mol |
| LogP | 5.81 |
| Topological Polar Surface Area | 192.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 677.1722 |
| Heavy Atoms | 44 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 60760-42-1 |
|---|---|
| SMILES | CCN(CC)CC.C1=CC=C2C(=C1)C=CC3=C2[N+](=C(S3)C=C4N(C5=CC=CC=C5S4)CCCS(=O)(=O)O)CCCS(=O)(=O)[O-] |
| InChIKey | RTHHIXINZMFGEU-UHFFFAOYSA-N |
Product Overview
Einecs 262-407-1 (CAS 60760-42-1), with molecular formula C31H39N3O6S4 and molecular weight 677.17 g/mol. IUPAC: N,N-diethylethanamine;3-[2-[[3-(3-sulfopropyl)-1,3-benzothiazol-2-ylidene]methyl]benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate.
Chemical Property Profile of Einecs 262-407-1
Property Insights of Einecs 262-407-1
The XLogP value of 5.81 indicates that Einecs 262-407-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 192.0 Ų indicates high polarity, suggesting Einecs 262-407-1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Einecs 262-407-1 has 1 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 262-407-1?
The CAS number of Einecs 262-407-1 is 60760-42-1.
What is the molecular formula of Einecs 262-407-1?
The molecular formula of Einecs 262-407-1 is C31H39N3O6S4.
What is the molecular weight of Einecs 262-407-1?
The molecular weight of Einecs 262-407-1 is 677.17 g/mol.
Where can I buy Einecs 262-407-1?
You can request a quote for Einecs 262-407-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 262-407-1?
Yes, KEHONG BIO provides custom synthesis services for Einecs 262-407-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.