RefChem:118747
TL;DR: RefChem:118747 (CAS 33718-79-5) is a chemical compound with molecular formula C34H32N2O6S and molecular weight 596.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-[2-[(3-methyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)methylidene]butylidene]-5-phenyl-1,3-benzoxazole;methyl sulfate
Also Known As: 9-Ethyl-3,3'-dimethyl-5,5'-diphenyloxacarbocyanine, methylsulfate, Benzoxazolium, 3-methyl-2-[2-[(3-methyl-5-phenyl-2(3H)-benzoxazolylidene)methyl]-1-buten-1-yl]-5-phenyl-, methyl sulfate (1:1), Benzoxazolium, 3-methyl-2-[2-[(3-methyl-5-phenyl-2(3H)-benzoxazolylidene)methyl]-1-butenyl]-5-phenyl-, methyl sulfate, 3-Methyl-2-{2-[(3-methyl-5-phenyl-1,3-benzoxazol-2(3H)-ylidene)methyl]but-1-en-1-yl}-5-phenyl-1,3-benzoxazol-3-ium methyl sulfate, Benzoxazolium, 3-methyl-2-(2-((3-methyl-5-phenyl-2(3H)-benzoxazolylidene)methyl)-1-buten-1-yl)-5-phenyl-, methyl sulfate (1:1)
| Molecular Formula | C34H32N2O6S |
|---|---|
| Molecular Weight | 596.20 g/mol |
| LogP | 6.85 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 596.1981 |
| Heavy Atoms | 43 |
| Complexity | 852.0 |
Chemical Identifiers
| CAS Number | 33718-79-5 |
|---|---|
| SMILES | CCC(=CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)C)C=C4N(C5=C(O4)C=CC(=C5)C6=CC=CC=C6)C.COS(=O)(=O)[O-] |
| InChIKey | RBEPIPBRHUKJDR-UHFFFAOYSA-M |
Product Overview
RefChem:118747 (CAS 33718-79-5), with molecular formula C34H32N2O6S and molecular weight 596.20 g/mol. IUPAC: 3-methyl-2-[2-[(3-methyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)methylidene]butylidene]-5-phenyl-1,3-benzoxazole;methyl sulfate.
Chemical Property Profile of RefChem:118747
Property Insights of RefChem:118747
The XLogP value of 6.85 indicates that RefChem:118747 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:118747. Following Lipinski's Rule of Five, RefChem:118747 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:118747?
The CAS number of RefChem:118747 is 33718-79-5.
What is the molecular formula of RefChem:118747?
The molecular formula of RefChem:118747 is C34H32N2O6S.
What is the molecular weight of RefChem:118747?
The molecular weight of RefChem:118747 is 596.20 g/mol.
Where can I buy RefChem:118747?
You can request a quote for RefChem:118747 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:118747?
Yes, KEHONG BIO provides custom synthesis services for RefChem:118747 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.