BAS 00351265
TL;DR: BAS 00351265 (CAS 331661-12-2) is a chemical compound with molecular formula C21H18BrNO2S3 and molecular weight 490.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromophenyl)-(8-ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone
Also Known As: BAS 00351265, (4-bromophenyl)-(8-ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone, (4-bromophenyl)(8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)methanone, (4-bromophenyl)(8-ethoxy-4,4-dimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)methanone
| Molecular Formula | C21H18BrNO2S3 |
|---|---|
| Molecular Weight | 490.97 g/mol |
| LogP | 7.26279 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 490.9683 |
| Heavy Atoms | 28 |
| Complexity | 1115.4246 |
Chemical Identifiers
| CAS Number | 331661-12-2 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N(C(C3=C2C(=S)SS3)(C)C)C(=O)C4=CC=C(C=C4)Br |
Product Overview
BAS 00351265 (CAS 331661-12-2), with molecular formula C21H18BrNO2S3 and molecular weight 490.97 g/mol. IUPAC: (4-bromophenyl)-(8-ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone.
Chemical Property Profile of BAS 00351265
Property Insights of BAS 00351265
The XLogP value of 7.26279 indicates that BAS 00351265 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, BAS 00351265 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00351265 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00351265?
The CAS number of BAS 00351265 is 331661-12-2.
What is the molecular formula of BAS 00351265?
The molecular formula of BAS 00351265 is C21H18BrNO2S3.
What is the molecular weight of BAS 00351265?
The molecular weight of BAS 00351265 is 490.97 g/mol.
Where can I buy BAS 00351265?
You can request a quote for BAS 00351265 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00351265?
Yes, KEHONG BIO provides custom synthesis services for BAS 00351265 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.