BAS 00126821
TL;DR: BAS 00126821 (CAS 301655-53-8) 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.
(2-bromophenyl)-(4,4,8-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone
Also Known As: BAS 00126821, (2-bromophenyl)(4,4,8-trimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)methanone, (2-bromophenyl)-(4,4,8-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone, (2-bromophenyl)(4,4,8-trimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)methanone, 2-bromophenyl 4,4,8-trimethyl-1-thioxo(4,5-dihydro-1,2-dithioleno[5,4-c]quinol in-5-yl) 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 | 301655-53-8 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N(C(C3=C2C(=S)SS3)(C)C)C(=O)C4=CC=CC=C4Br |
Product Overview
BAS 00126821 (CAS 301655-53-8), with molecular formula C20H16BrNOS3 and molecular weight 460.96 g/mol. IUPAC: (2-bromophenyl)-(4,4,8-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone.
Chemical Property Profile of BAS 00126821
Property Insights of BAS 00126821
The XLogP value of 7.17251 indicates that BAS 00126821 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 00126821 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00126821 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 00126821?
The CAS number of BAS 00126821 is 301655-53-8.
What is the molecular formula of BAS 00126821?
The molecular formula of BAS 00126821 is C20H16BrNOS3.
What is the molecular weight of BAS 00126821?
The molecular weight of BAS 00126821 is 460.96 g/mol.
Where can I buy BAS 00126821?
You can request a quote for BAS 00126821 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00126821?
Yes, KEHONG BIO provides custom synthesis services for BAS 00126821 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.