CTK8H2892
TL;DR: CTK8H2892 (CAS 17694-05-2) is a chemical compound with molecular formula C35H33N2O2+ and molecular weight 513.25 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
Also Known As: BAS 00107558, 3-ethyl-2-[2-[(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)methylidene]butylidene]-5-phenyl-1,3-benzoxazole, (2E)-3-ethyl-2-[(2E)-2-[(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)methylidene]butylidene]-5-phenyl-1,3-benzoxazole, 3-Ethyl-2-{2-[(3-ethyl-5-phenyl-1,3-benzoxazol-2(3H)-ylidene)methyl]but-1-en-1-yl}-5-phenyl-1,3-benzoxazol-3-ium
| Molecular Formula | C35H33N2O2+ |
|---|---|
| Molecular Weight | 513.25 g/mol |
| LogP | 9.5 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 513.2542 |
| Heavy Atoms | 39 |
| Complexity | 790.0 |
Chemical Identifiers
| CAS Number | 17694-05-2 |
|---|---|
| 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 |
| InChIKey | GJDCORVLYUCREY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
CTK8H2892 (CAS 17694-05-2), with molecular formula C35H33N2O2+ and molecular weight 513.25 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.
Chemical Property Profile of CTK8H2892
Property Insights of CTK8H2892
The XLogP value of 9.5 indicates that CTK8H2892 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, CTK8H2892 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CTK8H2892 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK8H2892?
The CAS number of CTK8H2892 is 17694-05-2.
What is the molecular formula of CTK8H2892?
The molecular formula of CTK8H2892 is C35H33N2O2+.
What is the molecular weight of CTK8H2892?
The molecular weight of CTK8H2892 is 513.25 g/mol.
Where can I buy CTK8H2892?
You can request a quote for CTK8H2892 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK8H2892?
Yes, KEHONG BIO provides custom synthesis services for CTK8H2892 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.