RefChem:184790
TL;DR: RefChem:184790 (CAS 65104-21-4) is a chemical compound with molecular formula C34H39IN2O4S2 and molecular weight 730.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-ethyl-6-[3-(7-ethylspiro[[1,3]dioxolo[4,5-f][1,3]benzothiazole-2,1'-cyclohexane]-6-ylidene)-2-methylprop-1-enyl]spiro[[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'-(3-(7'-ethylspiro(cyclohexane-1,2'-(1,3)dioxolo(4,5-f)benzothiazol)-6'(7'H)-ylidene)-2-methyl-1-propenyl)-, iodide, 7'-Ethyl-6'-(3-)7'-ethyl-6',7'-dihydrospiro(cyclohexane-1,2'-(1,3)dioxolo(4,5-f)benzothiazol-6'-ylidene)-2-methyl-1-propenyl)spiro(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'-(3-(7'-ethylspiro(cyclohexane-1,2'-(1,3)dioxolo(4,5-f)benzothiazol)-6'(7'H)-ylidene)-2-methyl-1-propen-1-yl)-, iodide (1:1), Spiro[cyclohexane-1,2'-[1,3]dioxolo[4,5-f]benzothiazolium], 7'-ethyl-6'-[3-(7'-ethylspiro[cyclohexane-1,2'-[1,3]dioxolo[4,5-f]benzothiazol]-6'(7'H)-ylidene)-2-methyl-1-propen-1-yl]-, iodide (1:1), Spiro[cyclohexane-1,2'-[1,3]dioxolo[4,5-f]benzothiazolium], 7'-ethyl-6'-[3-(7'-ethylspiro[cyclohexane-1,2'-[1,3]dioxolo[4,5-f]benzothiazol]-6'(7'H)-ylidene)-2-methyl-1-propenyl]-, iodide
| Molecular Formula | C34H39IN2O4S2 |
|---|---|
| Molecular Weight | 730.14 g/mol |
| LogP | 5.9528 |
| Topological Polar Surface Area | 44.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 730.1396 |
| Heavy Atoms | 43 |
| Complexity | 1634.9773 |
Chemical Identifiers
| CAS Number | 65104-21-4 |
|---|---|
| SMILES | CCN1C2=CC3=C(C=C2SC1=CC(=CC4=[N+](C5=CC6=C(C=C5S4)OC7(O6)CCCCC7)CC)C)OC8(O3)CCCCC8.[I-] |
Product Overview
RefChem:184790 (CAS 65104-21-4), with molecular formula C34H39IN2O4S2 and molecular weight 730.14 g/mol. IUPAC: 7-ethyl-6-[3-(7-ethylspiro[[1,3]dioxolo[4,5-f][1,3]benzothiazole-2,1'-cyclohexane]-6-ylidene)-2-methylprop-1-enyl]spiro[[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-ium-2,1'-cyclohexane] iodide.
Chemical Property Profile of RefChem:184790
Property Insights of RefChem:184790
The XLogP value of 5.9528 indicates that RefChem:184790 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.04 Ų, RefChem:184790 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:184790 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:184790?
The CAS number of RefChem:184790 is 65104-21-4.
What is the molecular formula of RefChem:184790?
The molecular formula of RefChem:184790 is C34H39IN2O4S2.
What is the molecular weight of RefChem:184790?
The molecular weight of RefChem:184790 is 730.14 g/mol.
Where can I buy RefChem:184790?
You can request a quote for RefChem:184790 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:184790?
Yes, KEHONG BIO provides custom synthesis services for RefChem:184790 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.