![6-methoxy-4,4-dimethyl-5-(3-phenylpropanoyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione structure](/static/products/3008/300802-08-8.webp)
6-methoxy-4,4-dimethyl-5-(3-phenylpropanoyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione
TL;DR: 6-methoxy-4,4-dimethyl-5-(3-phenylpropanoyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione (CAS 300802-08-8) is a chemical compound with molecular formula C22H21NO2S3 and molecular weight 427.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-3-phenylpropan-1-one
Also Known As: 6-methoxy-4,4-dimethyl-5-(3-phenylpropanoyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione, UPCMLD0ENAT0400-0674:001, 1-(6-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-3-phenylpropan-1-one, 1-(6-methoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-3-phenyl-1-propanone, 1-(6-methoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-3-phenylpropan-1-one
| Molecular Formula | C22H21NO2S3 |
|---|---|
| Molecular Weight | 427.07 g/mol |
| LogP | 6.42919 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 427.07346 |
| Heavy Atoms | 28 |
| Complexity | 1082.6614 |
Chemical Identifiers
| CAS Number | 300802-08-8 |
|---|---|
| SMILES | CC1(C2=C(C3=C(N1C(=O)CCC4=CC=CC=C4)C(=CC=C3)OC)C(=S)SS2)C |
Product Overview
6-methoxy-4,4-dimethyl-5-(3-phenylpropanoyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione (CAS 300802-08-8), with molecular formula C22H21NO2S3 and molecular weight 427.07 g/mol. IUPAC: 1-(6-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-3-phenylpropan-1-one.
Chemical Property Profile of 6-methoxy-4,4-dimethyl-5-(3-phenylpropanoyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione
Property Insights of 6-methoxy-4,4-dimethyl-5-(3-phenylpropanoyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione
The XLogP value of 6.42919 indicates that 6-methoxy-4,4-dimethyl-5-(3-phenylpropanoyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, 6-methoxy-4,4-dimethyl-5-(3-phenylpropanoyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-methoxy-4,4-dimethyl-5-(3-phenylpropanoyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-methoxy-4,4-dimethyl-5-(3-phenylpropanoyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione?
The CAS number of 6-methoxy-4,4-dimethyl-5-(3-phenylpropanoyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione is 300802-08-8.
What is the molecular formula of 6-methoxy-4,4-dimethyl-5-(3-phenylpropanoyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione?
The molecular formula of 6-methoxy-4,4-dimethyl-5-(3-phenylpropanoyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione is C22H21NO2S3.
What is the molecular weight of 6-methoxy-4,4-dimethyl-5-(3-phenylpropanoyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione?
The molecular weight of 6-methoxy-4,4-dimethyl-5-(3-phenylpropanoyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione is 427.07 g/mol.
Where can I buy 6-methoxy-4,4-dimethyl-5-(3-phenylpropanoyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione?
You can request a quote for 6-methoxy-4,4-dimethyl-5-(3-phenylpropanoyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-methoxy-4,4-dimethyl-5-(3-phenylpropanoyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione?
Yes, KEHONG BIO provides custom synthesis services for 6-methoxy-4,4-dimethyl-5-(3-phenylpropanoyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.