![benzo[d][1,3]dioxol-5-yl(8-ethoxy-4,4-dimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)methanone structure](/static/products/370/370077-98-8.png)
benzo[d][1,3]dioxol-5-yl(8-ethoxy-4,4-dimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)methanone
TL;DR: benzo[d][1,3]dioxol-5-yl(8-ethoxy-4,4-dimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)methanone (CAS 370077-98-8) is a chemical compound with molecular formula C22H19NO4S3 and molecular weight 457.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodioxol-5-yl-(8-ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone
Also Known As: benzo[d][1,3]dioxol-5-yl(8-ethoxy-4,4-dimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)methanone, 1,3-benzodioxol-5-yl(8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)methanone, 1,3-benzodioxol-5-yl-(8-ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone
| Molecular Formula | C22H19NO4S3 |
|---|---|
| Molecular Weight | 457.05 g/mol |
| LogP | 6.22899 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 457.0476 |
| Heavy Atoms | 30 |
| Complexity | 1227.3608 |
Chemical Identifiers
| CAS Number | 370077-98-8 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N(C(C3=C2C(=S)SS3)(C)C)C(=O)C4=CC5=C(C=C4)OCO5 |
Product Overview
benzo[d][1,3]dioxol-5-yl(8-ethoxy-4,4-dimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)methanone (CAS 370077-98-8), with molecular formula C22H19NO4S3 and molecular weight 457.05 g/mol. IUPAC: 1,3-benzodioxol-5-yl-(8-ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone.
Chemical Property Profile of benzo[d][1,3]dioxol-5-yl(8-ethoxy-4,4-dimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)methanone
Property Insights of benzo[d][1,3]dioxol-5-yl(8-ethoxy-4,4-dimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)methanone
The XLogP value of 6.22899 indicates that benzo[d][1,3]dioxol-5-yl(8-ethoxy-4,4-dimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.0 Ų, benzo[d][1,3]dioxol-5-yl(8-ethoxy-4,4-dimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, benzo[d][1,3]dioxol-5-yl(8-ethoxy-4,4-dimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)methanone has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of benzo[d][1,3]dioxol-5-yl(8-ethoxy-4,4-dimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)methanone?
The CAS number of benzo[d][1,3]dioxol-5-yl(8-ethoxy-4,4-dimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)methanone is 370077-98-8.
What is the molecular formula of benzo[d][1,3]dioxol-5-yl(8-ethoxy-4,4-dimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)methanone?
The molecular formula of benzo[d][1,3]dioxol-5-yl(8-ethoxy-4,4-dimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)methanone is C22H19NO4S3.
What is the molecular weight of benzo[d][1,3]dioxol-5-yl(8-ethoxy-4,4-dimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)methanone?
The molecular weight of benzo[d][1,3]dioxol-5-yl(8-ethoxy-4,4-dimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)methanone is 457.05 g/mol.
Where can I buy benzo[d][1,3]dioxol-5-yl(8-ethoxy-4,4-dimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)methanone?
You can request a quote for benzo[d][1,3]dioxol-5-yl(8-ethoxy-4,4-dimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzo[d][1,3]dioxol-5-yl(8-ethoxy-4,4-dimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for benzo[d][1,3]dioxol-5-yl(8-ethoxy-4,4-dimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.