RefChem:184788
TL;DR: RefChem:184788 (CAS 68239-11-2) is a chemical compound with molecular formula C17H21NO5S2 and molecular weight 383.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(6-methylspiro[[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-ium-2,1'-cyclohexane]-7-yl)propane-1-sulfonate
Also Known As: Spiro[cyclohexane-1,2'-[1,3]dioxolo[4,5-f]benzothiazolium], 6'-methyl-7'-(3-sulfopropyl)-, inner salt, 6'-Methyl-7'-(3-sulphonatopropyl)spiro(cyclohexane-1,2'-(1,3)dioxolo(4,5-f)benzothiazolium), Spiro(cyclohexane-1,2'-(1,3)dioxolo(4,5-f)benzothiazolium), 6'-methyl-7'-(3-sulfopropyl)-, hydroxide, inner salt, Spiro(cyclohexane-1,2'-(1,3)dioxolo(4,5-f)benzothiazolium), 6'-methyl-7'-(3-sulfopropyl)-, inner salt, 6'-Methyl-7'-(3-sulfonatopropyl)spiro[cyclohexane-1,2'-[1,3]dioxolo[4,5-f]benzothiazolium]
| Molecular Formula | C17H21NO5S2 |
|---|---|
| Molecular Weight | 383.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 383.08612 |
| Heavy Atoms | 25 |
| Complexity | 573.0 |
Chemical Identifiers
| CAS Number | 68239-11-2 |
|---|---|
| SMILES | CC1=[N+](C2=CC3=C(C=C2S1)OC4(O3)CCCCC4)CCCS(=O)(=O)[O-] |
| InChIKey | LNTHAPOUCNPOLE-UHFFFAOYSA-N |
Product Overview
RefChem:184788 (CAS 68239-11-2), with molecular formula C17H21NO5S2 and molecular weight 383.09 g/mol. IUPAC: 3-(6-methylspiro[[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-ium-2,1'-cyclohexane]-7-yl)propane-1-sulfonate.
Chemical Property Profile of RefChem:184788
Property Insights of RefChem:184788
The XLogP value of 3.4 indicates that RefChem:184788 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:184788. Following Lipinski's Rule of Five, RefChem:184788 has 0 hydrogen bond donor(s) and 6 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:184788?
The CAS number of RefChem:184788 is 68239-11-2.
What is the molecular formula of RefChem:184788?
The molecular formula of RefChem:184788 is C17H21NO5S2.
What is the molecular weight of RefChem:184788?
The molecular weight of RefChem:184788 is 383.09 g/mol.
Where can I buy RefChem:184788?
You can request a quote for RefChem:184788 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:184788?
Yes, KEHONG BIO provides custom synthesis services for RefChem:184788 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.