RefChem:164677
TL;DR: RefChem:164677 (CAS 4622-66-6) is a chemical compound with molecular formula C33H32N2O6S4 and molecular weight 680.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[2-[[1-(3-sulfopropyl)benzo[e][1,3]benzothiazol-2-ylidene]methyl]but-1-enyl]benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate
Also Known As: BAS 00482311, Naphtho[1,2-d]thiazolium, 1-(3-sulfopropyl)-2-[2-[[1-(3-sulfopropyl)naphtho[1,2-d]thiazol-2(1H)-ylidene]methyl]-1-butenyl]-, inner salt, 2-(9,9-Diphenyl-9H-fluoren-2-yl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane, 1-(3-Sulfopropyl)-2-(2-((1-(3-sulfopropyl)naphtho(1,2-d)thiazol-2(1H)-ylidene)methyl)-1-butenyl)naphtho(1,2-d)thiazolium, hydroxide, inner salt, 1-(3-Sulfopropyl)-2-[2-[[1-(3-sulfopropyl)naphtho[1,2-d]-thiazol-2(1H)-ylidene]methyl]-1-butenyl]-naphtho[1,2-d]thiazoli
| Molecular Formula | C33H32N2O6S4 |
|---|---|
| Molecular Weight | 680.11 g/mol |
| LogP | 7.5 |
| Topological Polar Surface Area | 189.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 680.1143 |
| Heavy Atoms | 45 |
| Complexity | 1300.0 |
Chemical Identifiers
| CAS Number | 4622-66-6 |
|---|---|
| SMILES | CCC(=CC1=[N+](C2=C(S1)C=CC3=CC=CC=C32)CCCS(=O)(=O)[O-])C=C4N(C5=C(S4)C=CC6=CC=CC=C65)CCCS(=O)(=O)O |
| InChIKey | LJJASSFOPDYCPC-UHFFFAOYSA-N |
Product Overview
RefChem:164677 (CAS 4622-66-6), with molecular formula C33H32N2O6S4 and molecular weight 680.11 g/mol. IUPAC: 3-[2-[2-[[1-(3-sulfopropyl)benzo[e][1,3]benzothiazol-2-ylidene]methyl]but-1-enyl]benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate.
Chemical Property Profile of RefChem:164677
Property Insights of RefChem:164677
The XLogP value of 7.5 indicates that RefChem:164677 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 189.0 Ų indicates high polarity, suggesting RefChem:164677 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:164677 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 RefChem:164677?
The CAS number of RefChem:164677 is 4622-66-6.
What is the molecular formula of RefChem:164677?
The molecular formula of RefChem:164677 is C33H32N2O6S4.
What is the molecular weight of RefChem:164677?
The molecular weight of RefChem:164677 is 680.11 g/mol.
Where can I buy RefChem:164677?
You can request a quote for RefChem:164677 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:164677?
Yes, KEHONG BIO provides custom synthesis services for RefChem:164677 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.