CTK8D9867
TL;DR: CTK8D9867 (CAS 28462-56-8) is a chemical compound with molecular formula C53H85N2O2+ and molecular weight 781.66 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-octadecyl-2-[3-(3-octadecyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole
Also Known As: 3-Octadecyl-2-[3-(3-octadecyl-1,3-benzoxazol-2(3H)-ylidene)-, 3-octadecyl-2-[3-(3-octadecylbenzooxazol-2-ylidene)prop-1-enyl]benzooxazole, benzoxazolium, 3-octadecyl-2-[3-(3-octadecyl-2(3h)-benzoxazolylidene)-1-propen-1-yl]-
| Molecular Formula | C53H85N2O2+ |
|---|---|
| Molecular Weight | 781.66 g/mol |
| LogP | 22.1 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 36 |
| Exact Mass | 781.66113 |
| Heavy Atoms | 57 |
| Complexity | 919.0 |
Chemical Identifiers
| CAS Number | 28462-56-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCN1C2=CC=CC=C2OC1=CC=CC3=[N+](C4=CC=CC=C4O3)CCCCCCCCCCCCCCCCCC |
| InChIKey | OVZNYHIJJRAIQL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
CTK8D9867 (CAS 28462-56-8), with molecular formula C53H85N2O2+ and molecular weight 781.66 g/mol. IUPAC: 3-octadecyl-2-[3-(3-octadecyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole.
Chemical Property Profile of CTK8D9867
Property Insights of CTK8D9867
The XLogP value of 22.1 indicates that CTK8D9867 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, CTK8D9867 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CTK8D9867 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 CTK8D9867?
The CAS number of CTK8D9867 is 28462-56-8.
What is the molecular formula of CTK8D9867?
The molecular formula of CTK8D9867 is C53H85N2O2+.
What is the molecular weight of CTK8D9867?
The molecular weight of CTK8D9867 is 781.66 g/mol.
Where can I buy CTK8D9867?
You can request a quote for CTK8D9867 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK8D9867?
Yes, KEHONG BIO provides custom synthesis services for CTK8D9867 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.