BAS 00655636
TL;DR: BAS 00655636 (CAS 331870-48-5) is a chemical compound with molecular formula C20H16BrNOS3 and molecular weight 460.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-bromo-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-(2-methylphenyl)methanone
Also Known As: BAS 00655636, (8-bromo-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-(2-methylphenyl)methanone, (8-bromo-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(2-methylphenyl)methanone, (8-bromo-4,4-dimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)(o-tolyl)methanone, 8-bromo-4,4-dimethyl-1-thioxo(4,5-dihydro-1,2-dithioleno[5,4-c]quinolin-5-yl) 2-methylphenyl ketone
| Molecular Formula | C20H16BrNOS3 |
|---|---|
| Molecular Weight | 460.96 g/mol |
| LogP | 7.17251 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 460.95773 |
| Heavy Atoms | 26 |
| Complexity | 1096.4309 |
Chemical Identifiers
| CAS Number | 331870-48-5 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)N2C3=C(C=C(C=C3)Br)C4=C(C2(C)C)SSC4=S |
Product Overview
BAS 00655636 (CAS 331870-48-5), with molecular formula C20H16BrNOS3 and molecular weight 460.96 g/mol. IUPAC: (8-bromo-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-(2-methylphenyl)methanone.
Chemical Property Profile of BAS 00655636
Property Insights of BAS 00655636
The XLogP value of 7.17251 indicates that BAS 00655636 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 00655636 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00655636 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 00655636?
The CAS number of BAS 00655636 is 331870-48-5.
What is the molecular formula of BAS 00655636?
The molecular formula of BAS 00655636 is C20H16BrNOS3.
What is the molecular weight of BAS 00655636?
The molecular weight of BAS 00655636 is 460.96 g/mol.
Where can I buy BAS 00655636?
You can request a quote for BAS 00655636 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00655636?
Yes, KEHONG BIO provides custom synthesis services for BAS 00655636 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.