Einecs 263-944-4
TL;DR: Einecs 263-944-4 (CAS 63148-94-7) is a chemical compound with molecular formula C36H46Cl2N4O6S3 and molecular weight 796.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[(E,3E)-3-[5,6-dichloro-1-ethyl-3-(3-sulfobutyl)benzimidazol-2-ylidene]prop-1-enyl]benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate;N,N-diethylethanamine
Also Known As: EINECS 263-944-4, Naphtho(1,2-d)thiazolium, 2-(3-(5,6-dichloro-1-ethyl-1,3-dihydro-3-(3-sulfobutyl)-2H-benzimidazol-2-ylidene)-1-propen-1-yl)-1-(3-sulfopropyl)-, inner salt, compd. with N,N-diethylethanamine (1:1), Naphtho[1,2-d]thiazolium, 2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(3-sulfobutyl)-2H-benzimidazol-2-ylidene]-1-propenyl]-1-(3-sulfopropyl)-, inner salt, compd. with N,N-diethylethanamine (1:1), 3-[2-[(E,3E)-3-[5,6-dichloro-1-ethyl-3-(3-sulfobutyl)benzimidazol-2-ylidene]prop-1-enyl]benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate; N,N-diethylethanamine, Naphtho(1,2-d)thiazolium, 2-(3-(5,6-dichloro-1-ethyl-1,3-dihydro-3-(3-sulfobutyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-1-(3-sulfopropyl)-, hydroxide, inner salt, compd. with N,N-diethylethanamine (1:1)
| Molecular Formula | C36H46Cl2N4O6S3 |
|---|---|
| Molecular Weight | 796.20 g/mol |
| LogP | 7.7997 |
| Topological Polar Surface Area | 125.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 14 |
| Exact Mass | 796.1957 |
| Heavy Atoms | 51 |
| Complexity | 2110.432 |
Chemical Identifiers
| CAS Number | 63148-94-7 |
|---|---|
| SMILES | CCN\1C2=CC(=C(C=C2N(/C1=C/C=C/C3=[N+](C4=C(S3)C=CC5=CC=CC=C54)CCCS(=O)(=O)[O-])CCC(C)S(=O)(=O)O)Cl)Cl.CCN(CC)CC |
Product Overview
Einecs 263-944-4 (CAS 63148-94-7), with molecular formula C36H46Cl2N4O6S3 and molecular weight 796.20 g/mol. IUPAC: 3-[2-[(E,3E)-3-[5,6-dichloro-1-ethyl-3-(3-sulfobutyl)benzimidazol-2-ylidene]prop-1-enyl]benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate;N,N-diethylethanamine.
Chemical Property Profile of Einecs 263-944-4
Property Insights of Einecs 263-944-4
The XLogP value of 7.7997 indicates that Einecs 263-944-4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.17 Ų falls within the moderate polarity range, balancing permeability and solubility for Einecs 263-944-4. Following Lipinski's Rule of Five, Einecs 263-944-4 has 1 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 263-944-4?
The CAS number of Einecs 263-944-4 is 63148-94-7.
What is the molecular formula of Einecs 263-944-4?
The molecular formula of Einecs 263-944-4 is C36H46Cl2N4O6S3.
What is the molecular weight of Einecs 263-944-4?
The molecular weight of Einecs 263-944-4 is 796.20 g/mol.
Where can I buy Einecs 263-944-4?
You can request a quote for Einecs 263-944-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 263-944-4?
Yes, KEHONG BIO provides custom synthesis services for Einecs 263-944-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.