RefChem:118762
TL;DR: RefChem:118762 (CAS 33628-03-4) is a chemical compound with molecular formula C37H35N2NaO8S2 and molecular weight 722.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 3-[5-phenyl-2-[2-[[5-phenyl-3-(3-sulfonatopropyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzoxazol-3-yl]propane-1-sulfonate
Also Known As: Sodium;3-[5-phenyl-2-[2-[[5-phenyl-3-(3-sulfonatopropyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzoxazol-3-yl]propane-1-sulfonate, 5-PHENYL-2-[2-[[5-PHENYL-3-(3-SULFOPROPYL)-2(3H)-BENZOXAZOLYLIDENE]METHYL-1-BUTENYL]-3-(3-SULFOPROPYL)BENZOXAZOLIUM HYDROXIDE, INNER SALT], SODIUM SALT, Benzoxazolium, 5-phenyl-2-(2-((5-phenyl-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene)methyl)-1-buten-1-yl)-3-(3-sulfopropyl)-, inner salt, sodium salt (1:1), Benzoxazolium, 5-phenyl-2-(2-((5-phenyl-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene)methyl)-1-butenyl)-3-(3-sulfopropyl)-, inner salt, sodium salt, 3,3'-Bis(3-sulfopropyl)-5,5'-diphenyl-9-ethyloxacarbocyanine betaine Sodium
| Molecular Formula | C37H35N2NaO8S2 |
|---|---|
| Molecular Weight | 722.17 g/mol |
| LogP | 3.46 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 722.1733 |
| Heavy Atoms | 50 |
| Complexity | 1230.0 |
Chemical Identifiers
| CAS Number | 33628-03-4 |
|---|---|
| SMILES | CCC(=CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCCS(=O)(=O)[O-])C=C4N(C5=C(O4)C=CC(=C5)C6=CC=CC=C6)CCCS(=O)(=O)[O-].[Na+] |
| InChIKey | MDBAEQGNAMHPTI-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:118762 (CAS 33628-03-4), with molecular formula C37H35N2NaO8S2 and molecular weight 722.17 g/mol. IUPAC: sodium 3-[5-phenyl-2-[2-[[5-phenyl-3-(3-sulfonatopropyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzoxazol-3-yl]propane-1-sulfonate.
Chemical Property Profile of RefChem:118762
Property Insights of RefChem:118762
The XLogP value of 3.46 indicates that RefChem:118762 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 161.0 Ų indicates high polarity, suggesting RefChem:118762 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:118762 has 0 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:118762?
The CAS number of RefChem:118762 is 33628-03-4.
What is the molecular formula of RefChem:118762?
The molecular formula of RefChem:118762 is C37H35N2NaO8S2.
What is the molecular weight of RefChem:118762?
The molecular weight of RefChem:118762 is 722.17 g/mol.
Where can I buy RefChem:118762?
You can request a quote for RefChem:118762 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:118762?
Yes, KEHONG BIO provides custom synthesis services for RefChem:118762 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.