![1-(isobutyrylthio)-4,4,8-trimethyl-4,5-dihydro[1,2]dithiolo[3,4-c]quinolin-2-ium chloride structure](/static/products/464/464878-25-9.png)
1-(isobutyrylthio)-4,4,8-trimethyl-4,5-dihydro[1,2]dithiolo[3,4-c]quinolin-2-ium chloride
TL;DR: 1-(isobutyrylthio)-4,4,8-trimethyl-4,5-dihydro[1,2]dithiolo[3,4-c]quinolin-2-ium chloride (CAS 464878-25-9) is a chemical compound with molecular formula C17H20ClNOS3 and molecular weight 385.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(4,4,8-trimethyl-5H-dithiolo[3,4-c]quinolin-2-ium-1-yl) 2-methylpropanethioate chloride
Also Known As: 1-(isobutyrylthio)-4,4,8-trimethyl-4,5-dihydro[1,2]dithiolo[3,4-c]quinolin-2-ium chloride, 2-methylpropanoyl-(4,4,8-trimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)sulfanium chloride, 1-(isobutyrylthio)-4,4,8-trimethyl-4,5-dihydro-[1,2]dithiolo[3,4-c]quinolin-2-ium chloride
| Molecular Formula | C17H20ClNOS3 |
|---|---|
| Molecular Weight | 385.04 g/mol |
| LogP | 3.00542 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 385.03955 |
| Heavy Atoms | 23 |
| Complexity | 752.29193 |
Chemical Identifiers
| CAS Number | 464878-25-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC(C3=C2C(=[S+]S3)SC(=O)C(C)C)(C)C.[Cl-] |
Product Overview
1-(isobutyrylthio)-4,4,8-trimethyl-4,5-dihydro[1,2]dithiolo[3,4-c]quinolin-2-ium chloride (CAS 464878-25-9), with molecular formula C17H20ClNOS3 and molecular weight 385.04 g/mol. IUPAC: S-(4,4,8-trimethyl-5H-dithiolo[3,4-c]quinolin-2-ium-1-yl) 2-methylpropanethioate chloride.
Chemical Property Profile of 1-(isobutyrylthio)-4,4,8-trimethyl-4,5-dihydro[1,2]dithiolo[3,4-c]quinolin-2-ium chloride
Property Insights of 1-(isobutyrylthio)-4,4,8-trimethyl-4,5-dihydro[1,2]dithiolo[3,4-c]quinolin-2-ium chloride
The XLogP value of 3.00542 indicates that 1-(isobutyrylthio)-4,4,8-trimethyl-4,5-dihydro[1,2]dithiolo[3,4-c]quinolin-2-ium chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 1-(isobutyrylthio)-4,4,8-trimethyl-4,5-dihydro[1,2]dithiolo[3,4-c]quinolin-2-ium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(isobutyrylthio)-4,4,8-trimethyl-4,5-dihydro[1,2]dithiolo[3,4-c]quinolin-2-ium chloride has 1 hydrogen bond donor(s) and 4 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 1-(isobutyrylthio)-4,4,8-trimethyl-4,5-dihydro[1,2]dithiolo[3,4-c]quinolin-2-ium chloride?
The CAS number of 1-(isobutyrylthio)-4,4,8-trimethyl-4,5-dihydro[1,2]dithiolo[3,4-c]quinolin-2-ium chloride is 464878-25-9.
What is the molecular formula of 1-(isobutyrylthio)-4,4,8-trimethyl-4,5-dihydro[1,2]dithiolo[3,4-c]quinolin-2-ium chloride?
The molecular formula of 1-(isobutyrylthio)-4,4,8-trimethyl-4,5-dihydro[1,2]dithiolo[3,4-c]quinolin-2-ium chloride is C17H20ClNOS3.
What is the molecular weight of 1-(isobutyrylthio)-4,4,8-trimethyl-4,5-dihydro[1,2]dithiolo[3,4-c]quinolin-2-ium chloride?
The molecular weight of 1-(isobutyrylthio)-4,4,8-trimethyl-4,5-dihydro[1,2]dithiolo[3,4-c]quinolin-2-ium chloride is 385.04 g/mol.
Where can I buy 1-(isobutyrylthio)-4,4,8-trimethyl-4,5-dihydro[1,2]dithiolo[3,4-c]quinolin-2-ium chloride?
You can request a quote for 1-(isobutyrylthio)-4,4,8-trimethyl-4,5-dihydro[1,2]dithiolo[3,4-c]quinolin-2-ium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(isobutyrylthio)-4,4,8-trimethyl-4,5-dihydro[1,2]dithiolo[3,4-c]quinolin-2-ium chloride?
Yes, KEHONG BIO provides custom synthesis services for 1-(isobutyrylthio)-4,4,8-trimethyl-4,5-dihydro[1,2]dithiolo[3,4-c]quinolin-2-ium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.