CTK8J7411
TL;DR: CTK8J7411 (CAS 63450-60-2) is a chemical compound with molecular formula C19H24NS+ and molecular weight 298.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium
Also Known As: 2-[methyl]-3-ethylbenzothiazolium, BAS 00009468, 3-ethyl-2-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium
| Molecular Formula | C19H24NS+ |
|---|---|
| Molecular Weight | 298.16 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 32.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.16293 |
| Heavy Atoms | 21 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 63450-60-2 |
|---|---|
| SMILES | CC[N+]1=C(SC2=CC=CC=C21)C=C3CC(CC(=C3)C)(C)C |
| InChIKey | HASRMKAJHCVHOP-UHFFFAOYSA-N |
Product Overview
CTK8J7411 (CAS 63450-60-2), with molecular formula C19H24NS+ and molecular weight 298.16 g/mol. IUPAC: 3-ethyl-2-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium.
Chemical Property Profile of CTK8J7411
Property Insights of CTK8J7411
The XLogP value of 5.3 indicates that CTK8J7411 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.1 Ų, CTK8J7411 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CTK8J7411 has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK8J7411?
The CAS number of CTK8J7411 is 63450-60-2.
What is the molecular formula of CTK8J7411?
The molecular formula of CTK8J7411 is C19H24NS+.
What is the molecular weight of CTK8J7411?
The molecular weight of CTK8J7411 is 298.16 g/mol.
Where can I buy CTK8J7411?
You can request a quote for CTK8J7411 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK8J7411?
Yes, KEHONG BIO provides custom synthesis services for CTK8J7411 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.