RefChem:566430
TL;DR: RefChem:566430 (CAS 60507-44-0) is a chemical compound with molecular formula C33H30N2O8S2 and molecular weight 646.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-phenyl-2-[[5-phenyl-3-(3-sulfonatopropyl)-1,3-benzoxazol-3-ium-2-yl]methyl]-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate
Also Known As: 3,3'-[methanediylbis(5-phenyl-1,3-benzoxazol-3-ium-2,3-diyl)]dipropane-1-sulfonate, Benzoxazolium, 5-phenyl-2-((5-phenyl-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene)methyl)-3-(3-sulfopropyl)-, hydroxide, inner salt, 3-[5-phenyl-2-[[5-phenyl-3-(3-sulfonatopropyl)-1,3-benzoxazol-3-ium-2-yl]methyl]-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate, Benzoxazolium, 5-phenyl-2-((5-phenyl-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene)methyl)-3-(3-sulfopropyl)-, inner salt, Benzoxazolium, 5-phenyl-2-[[5-phenyl-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene]methyl]-3-(3-sulfopropyl)-, hydroxide, inner salt
| Molecular Formula | C33H30N2O8S2 |
|---|---|
| Molecular Weight | 646.14 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 165.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 646.14435 |
| Heavy Atoms | 45 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 60507-44-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=[N+]3CCCS(=O)(=O)[O-])CC4=[N+](C5=C(O4)C=CC(=C5)C6=CC=CC=C6)CCCS(=O)(=O)[O-] |
| InChIKey | VRYXUZYXDROIKR-UHFFFAOYSA-N |
Product Overview
RefChem:566430 (CAS 60507-44-0), with molecular formula C33H30N2O8S2 and molecular weight 646.14 g/mol. IUPAC: 3-[5-phenyl-2-[[5-phenyl-3-(3-sulfonatopropyl)-1,3-benzoxazol-3-ium-2-yl]methyl]-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate.
Chemical Property Profile of RefChem:566430
Property Insights of RefChem:566430
The XLogP value of 5.3 indicates that RefChem:566430 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 165.0 Ų indicates high polarity, suggesting RefChem:566430 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:566430 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:566430?
The CAS number of RefChem:566430 is 60507-44-0.
What is the molecular formula of RefChem:566430?
The molecular formula of RefChem:566430 is C33H30N2O8S2.
What is the molecular weight of RefChem:566430?
The molecular weight of RefChem:566430 is 646.14 g/mol.
Where can I buy RefChem:566430?
You can request a quote for RefChem:566430 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:566430?
Yes, KEHONG BIO provides custom synthesis services for RefChem:566430 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.