![butanoyl-(8-methoxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)sulfanium chloride structure](/static/products/465/465534-14-9.png)
butanoyl-(8-methoxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)sulfanium chloride
TL;DR: butanoyl-(8-methoxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)sulfanium chloride (CAS 465534-14-9) is a chemical compound with molecular formula C17H20ClNO2S3 and molecular weight 401.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(8-methoxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-2-ium-1-yl) butanethioate chloride
Also Known As: butanoyl-(8-methoxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)sulfanium chloride, 1-(8-methoxy-4,4-dimethyl-4,5-dihydro-1,2-dithiolo[3,4-c]quinolinylthio)butan- 1-one, chloride, 1-(butyrylthio)-8-methoxy-4,4-dimethyl-4,5-dihydro-[1,2]dithiolo[3,4-c]quinolin-2-ium chloride, 1-(butyrylthio)-8-methoxy-4,4-dimethyl-4,5-dihydro[1,2]dithiolo[3,4-c]quinolin-2-ium chloride
| Molecular Formula | C17H20ClNO2S3 |
|---|---|
| Molecular Weight | 401.03 g/mol |
| LogP | 2.8497 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.0345 |
| Heavy Atoms | 24 |
| Complexity | 758.28906 |
Chemical Identifiers
| CAS Number | 465534-14-9 |
|---|---|
| SMILES | CCCC(=O)SC1=[S+]SC2=C1C3=C(C=CC(=C3)OC)NC2(C)C.[Cl-] |
Product Overview
butanoyl-(8-methoxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)sulfanium chloride (CAS 465534-14-9), with molecular formula C17H20ClNO2S3 and molecular weight 401.03 g/mol. IUPAC: S-(8-methoxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-2-ium-1-yl) butanethioate chloride.
Chemical Property Profile of butanoyl-(8-methoxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)sulfanium chloride
Property Insights of butanoyl-(8-methoxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)sulfanium chloride
The XLogP value of 2.8497 suggests moderate lipophilicity, balancing water solubility and membrane permeability for butanoyl-(8-methoxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)sulfanium chloride. With a topological polar surface area (TPSA) of 38.33 Ų, butanoyl-(8-methoxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)sulfanium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, butanoyl-(8-methoxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)sulfanium chloride has 1 hydrogen bond donor(s) and 5 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 butanoyl-(8-methoxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)sulfanium chloride?
The CAS number of butanoyl-(8-methoxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)sulfanium chloride is 465534-14-9.
What is the molecular formula of butanoyl-(8-methoxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)sulfanium chloride?
The molecular formula of butanoyl-(8-methoxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)sulfanium chloride is C17H20ClNO2S3.
What is the molecular weight of butanoyl-(8-methoxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)sulfanium chloride?
The molecular weight of butanoyl-(8-methoxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)sulfanium chloride is 401.03 g/mol.
Where can I buy butanoyl-(8-methoxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)sulfanium chloride?
You can request a quote for butanoyl-(8-methoxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)sulfanium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for butanoyl-(8-methoxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)sulfanium chloride?
Yes, KEHONG BIO provides custom synthesis services for butanoyl-(8-methoxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)sulfanium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.