![7-(1H-benzimidazol-2-ylsulfanyl)-8-methyl[1,3]dioxolo[4,5-g]quinolin-6(5H)-one structure](/static/products/517/517868-97-2.png)
7-(1H-benzimidazol-2-ylsulfanyl)-8-methyl[1,3]dioxolo[4,5-g]quinolin-6(5H)-one
TL;DR: 7-(1H-benzimidazol-2-ylsulfanyl)-8-methyl[1,3]dioxolo[4,5-g]quinolin-6(5H)-one (CAS 517868-97-2) is a chemical compound with molecular formula C18H13N3O3S and molecular weight 351.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(1H-benzimidazol-2-ylsulfanyl)-8-methyl-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
Also Known As: 7-(1H-benzimidazol-2-ylsulfanyl)-8-methyl[1,3]dioxolo[4,5-g]quinolin-6(5H)-one, 7-((1H-benzo[d]imidazol-2-yl)thio)-8-methyl-[1,3]dioxolo[4,5-g]quinolin-6(5H)-one, 7-(1H-benzimidazol-2-ylsulfanyl)-8-methyl-5H-[1,3]dioxolo[4,5-g]quinolin-6-one, 7-(1H-benzimidazol-2-ylsulfanyl)-8-methyl[1,3]dioxolo[4,5-g]quinolin-6-ol, 7-(1H-benzimidazol-2-ylthio)-8-methyl[1,3]dioxolo[4,5-g]quinolin-6(5H)-one
| Molecular Formula | C18H13N3O3S |
|---|---|
| Molecular Weight | 351.07 g/mol |
| LogP | 3.59272 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 351.06775 |
| Heavy Atoms | 25 |
| Complexity | 1162.5796 |
Chemical Identifiers
| CAS Number | 517868-97-2 |
|---|---|
| SMILES | CC1=C(C(=O)NC2=CC3=C(C=C12)OCO3)SC4=NC5=CC=CC=C5N4 |
Product Overview
7-(1H-benzimidazol-2-ylsulfanyl)-8-methyl[1,3]dioxolo[4,5-g]quinolin-6(5H)-one (CAS 517868-97-2), with molecular formula C18H13N3O3S and molecular weight 351.07 g/mol. IUPAC: 7-(1H-benzimidazol-2-ylsulfanyl)-8-methyl-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.
Chemical Property Profile of 7-(1H-benzimidazol-2-ylsulfanyl)-8-methyl[1,3]dioxolo[4,5-g]quinolin-6(5H)-one
Property Insights of 7-(1H-benzimidazol-2-ylsulfanyl)-8-methyl[1,3]dioxolo[4,5-g]quinolin-6(5H)-one
The XLogP value of 3.59272 indicates that 7-(1H-benzimidazol-2-ylsulfanyl)-8-methyl[1,3]dioxolo[4,5-g]quinolin-6(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(1H-benzimidazol-2-ylsulfanyl)-8-methyl[1,3]dioxolo[4,5-g]quinolin-6(5H)-one. Following Lipinski's Rule of Five, 7-(1H-benzimidazol-2-ylsulfanyl)-8-methyl[1,3]dioxolo[4,5-g]quinolin-6(5H)-one has 2 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 7-(1H-benzimidazol-2-ylsulfanyl)-8-methyl[1,3]dioxolo[4,5-g]quinolin-6(5H)-one?
The CAS number of 7-(1H-benzimidazol-2-ylsulfanyl)-8-methyl[1,3]dioxolo[4,5-g]quinolin-6(5H)-one is 517868-97-2.
What is the molecular formula of 7-(1H-benzimidazol-2-ylsulfanyl)-8-methyl[1,3]dioxolo[4,5-g]quinolin-6(5H)-one?
The molecular formula of 7-(1H-benzimidazol-2-ylsulfanyl)-8-methyl[1,3]dioxolo[4,5-g]quinolin-6(5H)-one is C18H13N3O3S.
What is the molecular weight of 7-(1H-benzimidazol-2-ylsulfanyl)-8-methyl[1,3]dioxolo[4,5-g]quinolin-6(5H)-one?
The molecular weight of 7-(1H-benzimidazol-2-ylsulfanyl)-8-methyl[1,3]dioxolo[4,5-g]quinolin-6(5H)-one is 351.07 g/mol.
Where can I buy 7-(1H-benzimidazol-2-ylsulfanyl)-8-methyl[1,3]dioxolo[4,5-g]quinolin-6(5H)-one?
You can request a quote for 7-(1H-benzimidazol-2-ylsulfanyl)-8-methyl[1,3]dioxolo[4,5-g]quinolin-6(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(1H-benzimidazol-2-ylsulfanyl)-8-methyl[1,3]dioxolo[4,5-g]quinolin-6(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 7-(1H-benzimidazol-2-ylsulfanyl)-8-methyl[1,3]dioxolo[4,5-g]quinolin-6(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.