CTK8I7186
TL;DR: CTK8I7186 (CAS 42880-17-1) is a chemical compound with molecular formula C26H26N2O5S and molecular weight 478.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-N-phenylacetamide;4-methylbenzenesulfonate
Also Known As: 3-Ethyl-2-(beta-acetylanilino)vinylbenzoxazolium p-toluenesulfonate, Benzoxazolium, 2-[2-(acetylphenylamino)ethenyl]-3-ethyl-, salt with 4-methylbenzenesulfonic acid (1:1), 3-ETHYL-2-[2-(N-PHENYLACETAMIDO)VINYL]BENZOXAZOLIUM P-TOLUENESULPHONATE, Benzoxazolium, 2-(2-(acetylphenylamino)ethenyl)-3-ethyl-, 4-methylbenzenesulfonate (1:1), Benzoxazolium, 2-(2-(acetylphenylamino)ethenyl)-3-ethyl-, salt with4-methylbenzenesulfonic acid (1:1)
| Molecular Formula | C26H26N2O5S |
|---|---|
| Molecular Weight | 478.16 g/mol |
| LogP | 4.66312 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 478.15625 |
| Heavy Atoms | 34 |
| Complexity | 624.0 |
Chemical Identifiers
| CAS Number | 42880-17-1 |
|---|---|
| SMILES | CC[N+]1=C(OC2=CC=CC=C21)C=CN(C3=CC=CC=C3)C(=O)C.CC1=CC=C(C=C1)S(=O)(=O)[O-] |
| InChIKey | CFVFENXFMHXVDS-UHFFFAOYSA-M |
Product Overview
CTK8I7186 (CAS 42880-17-1), with molecular formula C26H26N2O5S and molecular weight 478.16 g/mol. IUPAC: N-[2-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-N-phenylacetamide;4-methylbenzenesulfonate.
Chemical Property Profile of CTK8I7186
Property Insights of CTK8I7186
The XLogP value of 4.66312 indicates that CTK8I7186 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK8I7186. Following Lipinski's Rule of Five, CTK8I7186 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK8I7186?
The CAS number of CTK8I7186 is 42880-17-1.
What is the molecular formula of CTK8I7186?
The molecular formula of CTK8I7186 is C26H26N2O5S.
What is the molecular weight of CTK8I7186?
The molecular weight of CTK8I7186 is 478.16 g/mol.
Where can I buy CTK8I7186?
You can request a quote for CTK8I7186 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK8I7186?
Yes, KEHONG BIO provides custom synthesis services for CTK8I7186 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.