RefChem:118633
TL;DR: RefChem:118633 (CAS 34685-93-3) is a chemical compound with molecular formula C19H24INS and molecular weight 425.07 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 iodide
Also Known As: Benzothiazolium, 3-ethyl-2-[(3,5,5-trimethyl-2-cyclohexen-1-ylidene)methyl]-, iodide, 3-ethyl-2-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium;iodide, Benzothiazolium, 3-ethyl-2-((3,5,5-trimethyl-2-cyclohexen-1-ylidene)methyl)-, iodide, Benzothiazolium, 3-ethyl-2-((3,5,5-trimethyl-2-cyclohexen-1-ylidene)methyl)-, iodide (1:1), Benzothiazolium, 3-ethyl-2-[(3,5,5-trimethyl-2-cyclohexen-1-ylidene)methyl]-, iodide (1:1)
| Molecular Formula | C19H24INS |
|---|---|
| Molecular Weight | 425.07 g/mol |
| LogP | 2.36 |
| Topological Polar Surface Area | 32.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 425.0674 |
| Heavy Atoms | 22 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 34685-93-3 |
|---|---|
| SMILES | CC[N+]1=C(SC2=CC=CC=C21)C=C3CC(CC(=C3)C)(C)C.[I-] |
| InChIKey | FFXMFADACKSPTP-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:118633 (CAS 34685-93-3), with molecular formula C19H24INS and molecular weight 425.07 g/mol. IUPAC: 3-ethyl-2-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium iodide.
Chemical Property Profile of RefChem:118633
Property Insights of RefChem:118633
The XLogP value of 2.36 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:118633. With a topological polar surface area (TPSA) of 32.1 Ų, RefChem:118633 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:118633 has 0 hydrogen bond donor(s) and 2 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 RefChem:118633?
The CAS number of RefChem:118633 is 34685-93-3.
What is the molecular formula of RefChem:118633?
The molecular formula of RefChem:118633 is C19H24INS.
What is the molecular weight of RefChem:118633?
The molecular weight of RefChem:118633 is 425.07 g/mol.
Where can I buy RefChem:118633?
You can request a quote for RefChem:118633 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:118633?
Yes, KEHONG BIO provides custom synthesis services for RefChem:118633 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.