RefChem:184789
TL;DR: RefChem:184789 (CAS 65104-20-3) is a chemical compound with molecular formula C35H41IN2O4S2 and molecular weight 744.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-ethyl-6-[2-[(7-ethylspiro[[1,3]dioxolo[4,5-f][1,3]benzothiazole-2,1'-cyclohexane]-6-ylidene)methyl]but-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'-[2-[(7'-ethylspiro[cyclohexane-1,2'-[1,3]dioxolo[4,5-f]benzothiazol]-6'(7'H)-ylidene)methyl]-1-butenyl]-, iodide, Spiro(cyclohexane-1,2'-(1,3)dioxolo(4,5-f)benzothiazolium), 7'-ethyl-6'-(2-((7'-ethylspiro(cyclohexane-1,2'-(1,3)dioxolo(4,5-f)benzothiazol)-6'(7'H)-ylidene)methyl)-1-buten-1-yl)-, iodide (1:1), Spiro(cyclohexane-1,2'-(1,3)dioxolo(4,5-f)benzothiazolium), 7'-ethyl-6'-(2-((7'-ethylspiro(cyclohexane-1,2'-(1,3)dioxolo(4,5-f)benzothiazol)-6'(7'H)-ylidene)methyl)-1-butenyl)-, iodide, Spiro[cyclohexane-1,2'-[1,3]dioxolo[4,5-f]benzothiazolium], 7'-ethyl-6'-[2-[(7'-ethylspiro[cyclohexane-1,2'-[1,3]dioxolo[4,5-f]benzothiazol]-6'(7'H)-ylidene)methyl]-1-buten-1-yl]-, iodide (1:1), 7'-Ethyl-6'-{2-[(7'-ethylspiro[cyclohexane-1,2'-[1,3]dioxolo[4,5-f][1,3]benzothiazol]-6'(7'H)-ylidene)methyl]but-1-en-1-yl}spiro[cyclohexane-1,2'-[1,3]dioxolo[4,5-f][1,3]benzothiazol[7]ium] iodide
| Molecular Formula | C35H41IN2O4S2 |
|---|---|
| Molecular Weight | 744.16 g/mol |
| LogP | 6.34 |
| Topological Polar Surface Area | 97.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 744.1553 |
| Heavy Atoms | 44 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 65104-20-3 |
|---|---|
| SMILES | CCC(=CC1=[N+](C2=CC3=C(C=C2S1)OC4(O3)CCCCC4)CC)C=C5N(C6=CC7=C(C=C6S5)OC8(O7)CCCCC8)CC.[I-] |
| InChIKey | PKMABCNBVALBNV-UHFFFAOYSA-M |
Product Overview
RefChem:184789 (CAS 65104-20-3), with molecular formula C35H41IN2O4S2 and molecular weight 744.16 g/mol. IUPAC: 7-ethyl-6-[2-[(7-ethylspiro[[1,3]dioxolo[4,5-f][1,3]benzothiazole-2,1'-cyclohexane]-6-ylidene)methyl]but-1-enyl]spiro[[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-ium-2,1'-cyclohexane] iodide.
Chemical Property Profile of RefChem:184789
Property Insights of RefChem:184789
The XLogP value of 6.34 indicates that RefChem:184789 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:184789. Following Lipinski's Rule of Five, RefChem:184789 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:184789?
The CAS number of RefChem:184789 is 65104-20-3.
What is the molecular formula of RefChem:184789?
The molecular formula of RefChem:184789 is C35H41IN2O4S2.
What is the molecular weight of RefChem:184789?
The molecular weight of RefChem:184789 is 744.16 g/mol.
Where can I buy RefChem:184789?
You can request a quote for RefChem:184789 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:184789?
Yes, KEHONG BIO provides custom synthesis services for RefChem:184789 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.