BAS 00501773
TL;DR: BAS 00501773 (CAS 328072-73-7) is a chemical compound with molecular formula C21H19NO2S3 and molecular weight 413.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-phenylmethanone
Also Known As: BAS 00501773, 5-benzoyl-6-ethoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione, (6-ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-phenylmethanone, (6-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(phenyl)methanone, (6-ethoxy-4,4-dimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)(phenyl)methanone
| Molecular Formula | C21H19NO2S3 |
|---|---|
| Molecular Weight | 413.06 g/mol |
| LogP | 6.50029 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 413.0578 |
| Heavy Atoms | 27 |
| Complexity | 1066.5308 |
Chemical Identifiers
| CAS Number | 328072-73-7 |
|---|---|
| SMILES | CCOC1=CC=CC2=C1N(C(C3=C2C(=S)SS3)(C)C)C(=O)C4=CC=CC=C4 |
Product Overview
BAS 00501773 (CAS 328072-73-7), with molecular formula C21H19NO2S3 and molecular weight 413.06 g/mol. IUPAC: (6-ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-phenylmethanone.
Chemical Property Profile of BAS 00501773
Property Insights of BAS 00501773
The XLogP value of 6.50029 indicates that BAS 00501773 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 00501773 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00501773 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 00501773?
The CAS number of BAS 00501773 is 328072-73-7.
What is the molecular formula of BAS 00501773?
The molecular formula of BAS 00501773 is C21H19NO2S3.
What is the molecular weight of BAS 00501773?
The molecular weight of BAS 00501773 is 413.06 g/mol.
Where can I buy BAS 00501773?
You can request a quote for BAS 00501773 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00501773?
Yes, KEHONG BIO provides custom synthesis services for BAS 00501773 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.