BAS 00802141
TL;DR: BAS 00802141 (CAS 327167-15-7) 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)-(4-methylphenyl)methanone
Also Known As: BAS 00802141, (8-bromo-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-(4-methylphenyl)methanone, (8-bromo-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(4-methylphenyl)methanone, (8-bromo-4,4-dimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)(p-tolyl)methanone, 8-bromo-4,4-dimethyl-1-thioxo(4,5-dihydro-1,2-dithioleno[5,4-c]quinolin-5-yl) 4-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 | 1079.1809 |
Chemical Identifiers
| CAS Number | 327167-15-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)N2C3=C(C=C(C=C3)Br)C4=C(C2(C)C)SSC4=S |
Product Overview
BAS 00802141 (CAS 327167-15-7), 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)-(4-methylphenyl)methanone.
Chemical Property Profile of BAS 00802141
Property Insights of BAS 00802141
The XLogP value of 7.17251 indicates that BAS 00802141 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 00802141 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00802141 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 00802141?
The CAS number of BAS 00802141 is 327167-15-7.
What is the molecular formula of BAS 00802141?
The molecular formula of BAS 00802141 is C20H16BrNOS3.
What is the molecular weight of BAS 00802141?
The molecular weight of BAS 00802141 is 460.96 g/mol.
Where can I buy BAS 00802141?
You can request a quote for BAS 00802141 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00802141?
Yes, KEHONG BIO provides custom synthesis services for BAS 00802141 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.