BAS 00721942
TL;DR: BAS 00721942 (CAS 331973-62-7) is a chemical compound with molecular formula C17H17NO2S3 and molecular weight 363.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(8-ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one
Also Known As: BAS 00721942, 1-(8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one, 1-(8-ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one, 5-acryloyl-8-ethoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione, 1-(8-ethoxy-4,4-dimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)prop-2-en-1-one
| Molecular Formula | C17H17NO2S3 |
|---|---|
| Molecular Weight | 363.04 g/mol |
| LogP | 5.37249 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 363.04214 |
| Heavy Atoms | 23 |
| Complexity | 847.7636 |
Chemical Identifiers
| CAS Number | 331973-62-7 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N(C(C3=C2C(=S)SS3)(C)C)C(=O)C=C |
Product Overview
BAS 00721942 (CAS 331973-62-7), with molecular formula C17H17NO2S3 and molecular weight 363.04 g/mol. IUPAC: 1-(8-ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one.
Chemical Property Profile of BAS 00721942
Property Insights of BAS 00721942
The XLogP value of 5.37249 indicates that BAS 00721942 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, BAS 00721942 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00721942 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 BAS 00721942?
The CAS number of BAS 00721942 is 331973-62-7.
What is the molecular formula of BAS 00721942?
The molecular formula of BAS 00721942 is C17H17NO2S3.
What is the molecular weight of BAS 00721942?
The molecular weight of BAS 00721942 is 363.04 g/mol.
Where can I buy BAS 00721942?
You can request a quote for BAS 00721942 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00721942?
Yes, KEHONG BIO provides custom synthesis services for BAS 00721942 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.