BAS 00802039
TL;DR: BAS 00802039 (CAS 309270-72-2) is a chemical compound with molecular formula C16H15NO2S3 and molecular weight 349.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one
Also Known As: BAS 00802039, 1-(6-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one, 1-(6-methoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-propen-1-one, 1-(6-methoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one, 1-(6-methoxy-4,4-dimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)prop-2-en-1-one
| Molecular Formula | C16H15NO2S3 |
|---|---|
| Molecular Weight | 349.03 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 349.0265 |
| Heavy Atoms | 22 |
| Complexity | 570.0 |
Chemical Identifiers
| CAS Number | 309270-72-2 |
|---|---|
| SMILES | CC1(C2=C(C3=C(N1C(=O)C=C)C(=CC=C3)OC)C(=S)SS2)C |
| InChIKey | SVSUYXBXTPACEE-UHFFFAOYSA-N |
Product Overview
BAS 00802039 (CAS 309270-72-2), with molecular formula C16H15NO2S3 and molecular weight 349.03 g/mol. IUPAC: 1-(6-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one.
Chemical Property Profile of BAS 00802039
Property Insights of BAS 00802039
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00802039. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00802039. Following Lipinski's Rule of Five, BAS 00802039 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 00802039?
The CAS number of BAS 00802039 is 309270-72-2.
What is the molecular formula of BAS 00802039?
The molecular formula of BAS 00802039 is C16H15NO2S3.
What is the molecular weight of BAS 00802039?
The molecular weight of BAS 00802039 is 349.03 g/mol.
Where can I buy BAS 00802039?
You can request a quote for BAS 00802039 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00802039?
Yes, KEHONG BIO provides custom synthesis services for BAS 00802039 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.