BAS 00351028
TL;DR: BAS 00351028 (CAS 330180-62-6) is a chemical compound with molecular formula C21H18N2O4S3 and molecular weight 458.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-(3-nitrophenyl)methanone
Also Known As: BAS 00351028, (6-ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-(3-nitrophenyl)methanone, 6-ethoxy-5-{3-nitrobenzoyl}-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione, (6-ethoxy-4,4-dimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)(3-nitrophenyl)methanone, 6-ethoxy-4,4-dimethyl-1-thioxo(4,5-dihydro-1,2-dithioleno[5,4-c]quinolin-5-yl) 3-nitrophenyl ketone
| Molecular Formula | C21H18N2O4S3 |
|---|---|
| Molecular Weight | 458.04 g/mol |
| LogP | 6.40849 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 458.04288 |
| Heavy Atoms | 30 |
| Complexity | 1228.9846 |
Chemical Identifiers
| CAS Number | 330180-62-6 |
|---|---|
| SMILES | CCOC1=CC=CC2=C1N(C(C3=C2C(=S)SS3)(C)C)C(=O)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
BAS 00351028 (CAS 330180-62-6), with molecular formula C21H18N2O4S3 and molecular weight 458.04 g/mol. IUPAC: (6-ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-(3-nitrophenyl)methanone.
Chemical Property Profile of BAS 00351028
Property Insights of BAS 00351028
The XLogP value of 6.40849 indicates that BAS 00351028 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00351028. Following Lipinski's Rule of Five, BAS 00351028 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00351028?
The CAS number of BAS 00351028 is 330180-62-6.
What is the molecular formula of BAS 00351028?
The molecular formula of BAS 00351028 is C21H18N2O4S3.
What is the molecular weight of BAS 00351028?
The molecular weight of BAS 00351028 is 458.04 g/mol.
Where can I buy BAS 00351028?
You can request a quote for BAS 00351028 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00351028?
Yes, KEHONG BIO provides custom synthesis services for BAS 00351028 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.