RefChem:184791
TL;DR: RefChem:184791 (CAS 68298-85-1) is a chemical compound with molecular formula C16H20INO2S and molecular weight 417.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-ethyl-6-methylspiro[[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-ium-2,1'-cyclohexane] iodide
Also Known As: Spiro(cyclohexane-1,2'-(1,3)dioxolo(4,5-f)benzothiazolium), 7'-ethyl-6'-methyl-, iodide, 7'-ethyl-6'-methylspiro[cyclohexane-1,2'-[1,3]dioxolo[4,5-f][1,3]benzothiazol[7]ium] iodide, Spiro(cyclohexane-1,2'-(1,3)dioxolo(4,5-f)benzothiazolium), 7'-ethyl-6'-methyl-, iodide (1:1), 7'-Ethyl-6'-methylspiro(cyclohexane-1,2'-(1,3)dioxolo(4,5-f)benzothiazolium) iodide, Spiro[cyclohexane-1,2'-[1,3]dioxolo[4,5-f]benzothiazolium], 7'-ethyl-6'-methyl-, iodide
| Molecular Formula | C16H20INO2S |
|---|---|
| Molecular Weight | 417.03 g/mol |
| LogP | 0.95 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 417.02594 |
| Heavy Atoms | 21 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 68298-85-1 |
|---|---|
| SMILES | CC[N+]1=C(SC2=CC3=C(C=C21)OC4(O3)CCCCC4)C.[I-] |
| InChIKey | MRJARZUMSMBYPC-UHFFFAOYSA-M |
Product Overview
RefChem:184791 (CAS 68298-85-1), with molecular formula C16H20INO2S and molecular weight 417.03 g/mol. IUPAC: 7-ethyl-6-methylspiro[[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-ium-2,1'-cyclohexane] iodide.
Chemical Property Profile of RefChem:184791
Property Insights of RefChem:184791
The XLogP value of 0.95 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:184791. With a topological polar surface area (TPSA) of 50.6 Ų, RefChem:184791 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:184791 has 0 hydrogen bond donor(s) and 4 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:184791?
The CAS number of RefChem:184791 is 68298-85-1.
What is the molecular formula of RefChem:184791?
The molecular formula of RefChem:184791 is C16H20INO2S.
What is the molecular weight of RefChem:184791?
The molecular weight of RefChem:184791 is 417.03 g/mol.
Where can I buy RefChem:184791?
You can request a quote for RefChem:184791 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:184791?
Yes, KEHONG BIO provides custom synthesis services for RefChem:184791 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.