![3-[5-methoxy-2-[(Z)-2-methylsulfanylbut-1-enyl]thieno[2,3-e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate structure](/static/products/3173/317376-29-7.webp)
3-[5-methoxy-2-[(Z)-2-methylsulfanylbut-1-enyl]thieno[2,3-e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate
TL;DR: 3-[5-methoxy-2-[(Z)-2-methylsulfanylbut-1-enyl]thieno[2,3-e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate (CAS 317376-29-7) is a chemical compound with molecular formula C18H21NO4S4 and molecular weight 443.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-methoxy-2-[(Z)-2-methylsulfanylbut-1-enyl]thieno[2,3-e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate
Also Known As: 3-[5-methoxy-2-[(Z)-2-methylsulfanylbut-1-enyl]thieno[2,3-e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate, (Z)-3-(5-methoxy-2-(2-(methylthio)but-1-en-1-yl)thieno[3',2':5,6]benzo[1,2-d]thiazol-1-ium-1-yl)propane-1-sulfonate, 3-{5-methoxy-2-[(1Z)-2-(methylsulfanyl)but-1-en-1-yl]thieno[2,3-e][1,3]benzothiazol-1-ium-1-yl}propane-1-sulfonate
| Molecular Formula | C18H21NO4S4 |
|---|---|
| Molecular Weight | 443.04 g/mol |
| LogP | 4.4613 |
| Topological Polar Surface Area | 70.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 443.03534 |
| Heavy Atoms | 27 |
| Complexity | 1089.6531 |
Chemical Identifiers
| CAS Number | 317376-29-7 |
|---|---|
| SMILES | CC/C(=C/C1=[N+](C2=C(S1)C=C(C3=C2SC=C3)OC)CCCS(=O)(=O)[O-])/SC |
Product Overview
3-[5-methoxy-2-[(Z)-2-methylsulfanylbut-1-enyl]thieno[2,3-e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate (CAS 317376-29-7), with molecular formula C18H21NO4S4 and molecular weight 443.04 g/mol. IUPAC: 3-[5-methoxy-2-[(Z)-2-methylsulfanylbut-1-enyl]thieno[2,3-e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate.
Chemical Property Profile of 3-[5-methoxy-2-[(Z)-2-methylsulfanylbut-1-enyl]thieno[2,3-e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate
Property Insights of 3-[5-methoxy-2-[(Z)-2-methylsulfanylbut-1-enyl]thieno[2,3-e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate
The XLogP value of 4.4613 indicates that 3-[5-methoxy-2-[(Z)-2-methylsulfanylbut-1-enyl]thieno[2,3-e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[5-methoxy-2-[(Z)-2-methylsulfanylbut-1-enyl]thieno[2,3-e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate. Following Lipinski's Rule of Five, 3-[5-methoxy-2-[(Z)-2-methylsulfanylbut-1-enyl]thieno[2,3-e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate has 0 hydrogen bond donor(s) and 7 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 3-[5-methoxy-2-[(Z)-2-methylsulfanylbut-1-enyl]thieno[2,3-e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate?
The CAS number of 3-[5-methoxy-2-[(Z)-2-methylsulfanylbut-1-enyl]thieno[2,3-e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate is 317376-29-7.
What is the molecular formula of 3-[5-methoxy-2-[(Z)-2-methylsulfanylbut-1-enyl]thieno[2,3-e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate?
The molecular formula of 3-[5-methoxy-2-[(Z)-2-methylsulfanylbut-1-enyl]thieno[2,3-e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate is C18H21NO4S4.
What is the molecular weight of 3-[5-methoxy-2-[(Z)-2-methylsulfanylbut-1-enyl]thieno[2,3-e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate?
The molecular weight of 3-[5-methoxy-2-[(Z)-2-methylsulfanylbut-1-enyl]thieno[2,3-e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate is 443.04 g/mol.
Where can I buy 3-[5-methoxy-2-[(Z)-2-methylsulfanylbut-1-enyl]thieno[2,3-e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate?
You can request a quote for 3-[5-methoxy-2-[(Z)-2-methylsulfanylbut-1-enyl]thieno[2,3-e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[5-methoxy-2-[(Z)-2-methylsulfanylbut-1-enyl]thieno[2,3-e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3-[5-methoxy-2-[(Z)-2-methylsulfanylbut-1-enyl]thieno[2,3-e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.