BAS 00126937
TL;DR: BAS 00126937 (CAS 301655-80-1) is a chemical compound with molecular formula C20H25NO2S3 and molecular weight 407.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(8-ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)hexan-1-one
Also Known As: BAS 00126937, 1-(8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)hexan-1-one, 1-(8-ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)hexan-1-one, 1-(8-ethoxy-4,4-dimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)hexan-1-one, 8-ethoxy-5-hexanoyl-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione
| Molecular Formula | C20H25NO2S3 |
|---|---|
| Molecular Weight | 407.10 g/mol |
| LogP | 6.76679 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 407.10474 |
| Heavy Atoms | 26 |
| Complexity | 866.1815 |
Chemical Identifiers
| CAS Number | 301655-80-1 |
|---|---|
| SMILES | CCCCCC(=O)N1C2=C(C=C(C=C2)OCC)C3=C(C1(C)C)SSC3=S |
Product Overview
BAS 00126937 (CAS 301655-80-1), with molecular formula C20H25NO2S3 and molecular weight 407.10 g/mol. IUPAC: 1-(8-ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)hexan-1-one.
Chemical Property Profile of BAS 00126937
Property Insights of BAS 00126937
The XLogP value of 6.76679 indicates that BAS 00126937 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 00126937 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00126937 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 00126937?
The CAS number of BAS 00126937 is 301655-80-1.
What is the molecular formula of BAS 00126937?
The molecular formula of BAS 00126937 is C20H25NO2S3.
What is the molecular weight of BAS 00126937?
The molecular weight of BAS 00126937 is 407.10 g/mol.
Where can I buy BAS 00126937?
You can request a quote for BAS 00126937 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00126937?
Yes, KEHONG BIO provides custom synthesis services for BAS 00126937 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.