BAS 00126794
TL;DR: BAS 00126794 (CAS 301655-36-7) is a chemical compound with molecular formula C17H13NO2S3 and molecular weight 359.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-(furan-2-yl)methanone
Also Known As: BAS 00126794, (4,4-Dimethyl-1-thioxo-1,4-dihydro-[1,2]dithiolo[3,4-c]quinolin-5-yl)-furan-2-yl-methanone, (4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-(furan-2-yl)methanone, (4,4-dimethyl-1-thioxo-dithiolo[3,4-c]quinolin-5-yl)-(2-furyl)methanone, (4,4-dimethyl-1-sulfanylidene-[1,2]dithiolo[3,4-c]quinolin-5-yl)-(furan-2-yl)methanone
| Molecular Formula | C17H13NO2S3 |
|---|---|
| Molecular Weight | 359.01 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 359.01083 |
| Heavy Atoms | 23 |
| Complexity | 586.0 |
Chemical Identifiers
| CAS Number | 301655-36-7 |
|---|---|
| SMILES | CC1(C2=C(C3=CC=CC=C3N1C(=O)C4=CC=CO4)C(=S)SS2)C |
| InChIKey | WDRUXMWBQABAFO-UHFFFAOYSA-N |
Product Overview
BAS 00126794 (CAS 301655-36-7), with molecular formula C17H13NO2S3 and molecular weight 359.01 g/mol. IUPAC: (4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-(furan-2-yl)methanone.
Chemical Property Profile of BAS 00126794
Property Insights of BAS 00126794
The XLogP value of 3.4 indicates that BAS 00126794 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00126794. Following Lipinski's Rule of Five, BAS 00126794 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00126794?
The CAS number of BAS 00126794 is 301655-36-7.
What is the molecular formula of BAS 00126794?
The molecular formula of BAS 00126794 is C17H13NO2S3.
What is the molecular weight of BAS 00126794?
The molecular weight of BAS 00126794 is 359.01 g/mol.
Where can I buy BAS 00126794?
You can request a quote for BAS 00126794 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00126794?
Yes, KEHONG BIO provides custom synthesis services for BAS 00126794 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.