BAS 00916179
TL;DR: BAS 00916179 (CAS 332073-95-7) is a chemical compound with molecular formula C21H18ClNO3S3 and molecular weight 463.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenoxy)-1-(8-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone
Also Known As: BAS 00916179, 2-(4-chlorophenoxy)-1-(8-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone, 5-[(4-chlorophenoxy)acetyl]-8-methoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione, 2-(4-chlorophenoxy)-1-(8-methoxy-4,4-dimethyl-1-thioxo(4,5-dihydro-1,2-dithiol eno[5,4-c]quinolin-5-yl))ethan-1-one, 2-(4-chlorophenoxy)-1-(8-methoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethanone
| Molecular Formula | C21H18ClNO3S3 |
|---|---|
| Molecular Weight | 463.01 g/mol |
| LogP | 6.52879 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 463.01373 |
| Heavy Atoms | 29 |
| Complexity | 1134.8182 |
Chemical Identifiers
| CAS Number | 332073-95-7 |
|---|---|
| SMILES | CC1(C2=C(C3=C(N1C(=O)COC4=CC=C(C=C4)Cl)C=CC(=C3)OC)C(=S)SS2)C |
Product Overview
BAS 00916179 (CAS 332073-95-7), with molecular formula C21H18ClNO3S3 and molecular weight 463.01 g/mol. IUPAC: 2-(4-chlorophenoxy)-1-(8-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone.
Chemical Property Profile of BAS 00916179
Property Insights of BAS 00916179
The XLogP value of 6.52879 indicates that BAS 00916179 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.77 Ų, BAS 00916179 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00916179 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00916179?
The CAS number of BAS 00916179 is 332073-95-7.
What is the molecular formula of BAS 00916179?
The molecular formula of BAS 00916179 is C21H18ClNO3S3.
What is the molecular weight of BAS 00916179?
The molecular weight of BAS 00916179 is 463.01 g/mol.
Where can I buy BAS 00916179?
You can request a quote for BAS 00916179 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00916179?
Yes, KEHONG BIO provides custom synthesis services for BAS 00916179 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.