BAS 01095178
TL;DR: BAS 01095178 (CAS 336176-78-4) is a chemical compound with molecular formula C18H18N4OS4 and molecular weight 434.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4,4,7-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone
Also Known As: BAS 01095178, 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4,4,7-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone, 2-(4-Methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-1-(4,4,7-trimethyl-1-thioxo-1,4-dihydro-[1,2]dithiolo[3,4-c]quinolin-5-yl)-ethanone, 4,4,7-trimethyl-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione, 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4,4,7-trimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)ethanone
| Molecular Formula | C18H18N4OS4 |
|---|---|
| Molecular Weight | 434.04 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 434.03635 |
| Heavy Atoms | 27 |
| Complexity | 682.0 |
Chemical Identifiers
| CAS Number | 336176-78-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C3=C(C(N2C(=O)CSC4=NN=CN4C)(C)C)SSC3=S |
| InChIKey | UDMYDZOHMHAOLI-UHFFFAOYSA-N |
Product Overview
BAS 01095178 (CAS 336176-78-4), with molecular formula C18H18N4OS4 and molecular weight 434.04 g/mol. IUPAC: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4,4,7-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone.
Chemical Property Profile of BAS 01095178
Property Insights of BAS 01095178
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01095178. The TPSA of 159.0 Ų indicates high polarity, suggesting BAS 01095178 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 01095178 has 0 hydrogen bond donor(s) and 7 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 01095178?
The CAS number of BAS 01095178 is 336176-78-4.
What is the molecular formula of BAS 01095178?
The molecular formula of BAS 01095178 is C18H18N4OS4.
What is the molecular weight of BAS 01095178?
The molecular weight of BAS 01095178 is 434.04 g/mol.
Where can I buy BAS 01095178?
You can request a quote for BAS 01095178 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01095178?
Yes, KEHONG BIO provides custom synthesis services for BAS 01095178 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.