![Benzo[b]thiophen-3(2H)-one, 4,7-dimethyl-2-(3-oxobenzo[b]thien-2(3H)-ylidene)- structure](/static/products/6851/68516-80-3.webp)
Benzo[b]thiophen-3(2H)-one, 4,7-dimethyl-2-(3-oxobenzo[b]thien-2(3H)-ylidene)-
TL;DR: Benzo[b]thiophen-3(2H)-one, 4,7-dimethyl-2-(3-oxobenzo[b]thien-2(3H)-ylidene)- (CAS 68516-80-3) is a chemical compound with molecular formula C18H12O2S2 and molecular weight 324.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7-dimethyl-2-(3-oxo-1-benzothiophen-2-ylidene)-1-benzothiophen-3-one
Also Known As: Benzo[b]thiophen-3(2H)-one, 4,7-dimethyl-2-(3-oxobenzo[b]thien-2(3H)-ylidene)-, 4,7-Dimethyl-2-(3-oxobenzo(b)thien-2(3H)-ylidene)benzo(b)thiophene-3(2H)-one, 4,7-dimethyl-2-(3-oxobenzo[b]thien-2 benzo[b]thiophene-3 -one, 4,7-Dimethyl-2-(3-oxobenzo[b]thien-2(3H)-ylidene)benzo[b]thiophene-3(2H)-one, 4,7-Dimethyl-2-(3-oxobenzo(b)thien-2(3H)-ylidene)benzo(b)thiophen-3(2H)-one
| Molecular Formula | C18H12O2S2 |
|---|---|
| Molecular Weight | 324.03 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 324.02786 |
| Heavy Atoms | 22 |
| Complexity | 553.0 |
Chemical Identifiers
| CAS Number | 68516-80-3 |
|---|---|
| SMILES | CC1=C2C(=C(C=C1)C)SC(=C3C(=O)C4=CC=CC=C4S3)C2=O |
| InChIKey | LEJFJMYRQZBWHT-UHFFFAOYSA-N |
Product Overview
Benzo[b]thiophen-3(2H)-one, 4,7-dimethyl-2-(3-oxobenzo[b]thien-2(3H)-ylidene)- (CAS 68516-80-3), with molecular formula C18H12O2S2 and molecular weight 324.03 g/mol. IUPAC: 4,7-dimethyl-2-(3-oxo-1-benzothiophen-2-ylidene)-1-benzothiophen-3-one.
Chemical Property Profile of Benzo[b]thiophen-3(2H)-one, 4,7-dimethyl-2-(3-oxobenzo[b]thien-2(3H)-ylidene)-
Property Insights of Benzo[b]thiophen-3(2H)-one, 4,7-dimethyl-2-(3-oxobenzo[b]thien-2(3H)-ylidene)-
The XLogP value of 4.8 indicates that Benzo[b]thiophen-3(2H)-one, 4,7-dimethyl-2-(3-oxobenzo[b]thien-2(3H)-ylidene)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzo[b]thiophen-3(2H)-one, 4,7-dimethyl-2-(3-oxobenzo[b]thien-2(3H)-ylidene)-. Following Lipinski's Rule of Five, Benzo[b]thiophen-3(2H)-one, 4,7-dimethyl-2-(3-oxobenzo[b]thien-2(3H)-ylidene)- has 0 hydrogen bond donor(s) and 4 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 Benzo[b]thiophen-3(2H)-one, 4,7-dimethyl-2-(3-oxobenzo[b]thien-2(3H)-ylidene)-?
The CAS number of Benzo[b]thiophen-3(2H)-one, 4,7-dimethyl-2-(3-oxobenzo[b]thien-2(3H)-ylidene)- is 68516-80-3.
What is the molecular formula of Benzo[b]thiophen-3(2H)-one, 4,7-dimethyl-2-(3-oxobenzo[b]thien-2(3H)-ylidene)-?
The molecular formula of Benzo[b]thiophen-3(2H)-one, 4,7-dimethyl-2-(3-oxobenzo[b]thien-2(3H)-ylidene)- is C18H12O2S2.
What is the molecular weight of Benzo[b]thiophen-3(2H)-one, 4,7-dimethyl-2-(3-oxobenzo[b]thien-2(3H)-ylidene)-?
The molecular weight of Benzo[b]thiophen-3(2H)-one, 4,7-dimethyl-2-(3-oxobenzo[b]thien-2(3H)-ylidene)- is 324.03 g/mol.
Where can I buy Benzo[b]thiophen-3(2H)-one, 4,7-dimethyl-2-(3-oxobenzo[b]thien-2(3H)-ylidene)-?
You can request a quote for Benzo[b]thiophen-3(2H)-one, 4,7-dimethyl-2-(3-oxobenzo[b]thien-2(3H)-ylidene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo[b]thiophen-3(2H)-one, 4,7-dimethyl-2-(3-oxobenzo[b]thien-2(3H)-ylidene)-?
Yes, KEHONG BIO provides custom synthesis services for Benzo[b]thiophen-3(2H)-one, 4,7-dimethyl-2-(3-oxobenzo[b]thien-2(3H)-ylidene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.