RefChem:118726
TL;DR: RefChem:118726 (CAS 28118-15-2) is a chemical compound with molecular formula C35H33BrN2O2 and molecular weight 592.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2-[2-[(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)methylidene]butylidene]-5-phenyl-1,3-benzoxazole bromide
Also Known As: Benzoxazolium, 3-ethyl-2-[2-[(3-ethyl-5-phenyl-2(3H)-benzoxazolylidene)methyl]-1-butenyl]-5-phenyl-, bromide, Benzoxazolium, 3-ethyl-2-(2-((3-ethyl-5-phenyl-2(3H)-benzoxazolylidene)methyl)-1-buten-1-yl)-5-phenyl-, bromide (1:1), Benzoxazolium, 3-ethyl-2-(2-((3-ethyl-5-phenyl-2(3H)-benzoxazolylidene)methyl)-1-butenyl)-5-phenyl-, bromide, Benzoxazolium, 3-ethyl-2-[2-[(3-ethyl-5-phenyl-2(3H)-benzoxazolylidene)methyl]-1-buten-1-yl]-5-phenyl-, bromide (1:1), 3-ETHYL-2-[2-[(3-ETHYL-5-PHENYL-3H-BENZOXAZOL-2-YLIDENE)METHYL]BUT-1-ENYL]-5-PHENYLBENZOXAZOLIUM BROMIDE
| Molecular Formula | C35H33BrN2O2 |
|---|---|
| Molecular Weight | 592.17 g/mol |
| LogP | 5.63 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 592.17255 |
| Heavy Atoms | 40 |
| Complexity | 790.0 |
Chemical Identifiers
| CAS Number | 28118-15-2 |
|---|---|
| SMILES | CCC(=CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CC)C=C4N(C5=C(O4)C=CC(=C5)C6=CC=CC=C6)CC.[Br-] |
| InChIKey | BUTFUHVAKJPHHB-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:118726 (CAS 28118-15-2), with molecular formula C35H33BrN2O2 and molecular weight 592.17 g/mol. IUPAC: 3-ethyl-2-[2-[(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)methylidene]butylidene]-5-phenyl-1,3-benzoxazole bromide.
Chemical Property Profile of RefChem:118726
Property Insights of RefChem:118726
The XLogP value of 5.63 indicates that RefChem:118726 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, RefChem:118726 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:118726 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:118726?
The CAS number of RefChem:118726 is 28118-15-2.
What is the molecular formula of RefChem:118726?
The molecular formula of RefChem:118726 is C35H33BrN2O2.
What is the molecular weight of RefChem:118726?
The molecular weight of RefChem:118726 is 592.17 g/mol.
Where can I buy RefChem:118726?
You can request a quote for RefChem:118726 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:118726?
Yes, KEHONG BIO provides custom synthesis services for RefChem:118726 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.