BAS 00584574
TL;DR: BAS 00584574 (CAS 331760-91-9) is a chemical compound with molecular formula C19H14ClNOS3 and molecular weight 402.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chlorophenyl)-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone
Also Known As: BAS 00584574, 5-(3-chlorobenzoyl)-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione, (3-chlorophenyl)-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone, (3-chlorophenyl)(4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)methanone, (3-chlorophenyl)(4,4-dimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)methanone
| Molecular Formula | C19H14ClNOS3 |
|---|---|
| Molecular Weight | 402.99 g/mol |
| LogP | 6.75499 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 402.9926 |
| Heavy Atoms | 25 |
| Complexity | 1050.5728 |
Chemical Identifiers
| CAS Number | 331760-91-9 |
|---|---|
| SMILES | CC1(C2=C(C3=CC=CC=C3N1C(=O)C4=CC(=CC=C4)Cl)C(=S)SS2)C |
Product Overview
BAS 00584574 (CAS 331760-91-9), with molecular formula C19H14ClNOS3 and molecular weight 402.99 g/mol. IUPAC: (3-chlorophenyl)-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone.
Chemical Property Profile of BAS 00584574
Property Insights of BAS 00584574
The XLogP value of 6.75499 indicates that BAS 00584574 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, BAS 00584574 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00584574 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00584574?
The CAS number of BAS 00584574 is 331760-91-9.
What is the molecular formula of BAS 00584574?
The molecular formula of BAS 00584574 is C19H14ClNOS3.
What is the molecular weight of BAS 00584574?
The molecular weight of BAS 00584574 is 402.99 g/mol.
Where can I buy BAS 00584574?
You can request a quote for BAS 00584574 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00584574?
Yes, KEHONG BIO provides custom synthesis services for BAS 00584574 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.