![6-Phenylsulfanylbenzo[7]annulene-1,4,7-trione structure](/static/products/138/138168-46-4.png)
6-Phenylsulfanylbenzo[7]annulene-1,4,7-trione
TL;DR: 6-Phenylsulfanylbenzo[7]annulene-1,4,7-trione (CAS 138168-46-4) is a chemical compound with molecular formula C17H10O3S and molecular weight 294.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-phenylsulfanylbenzo[7]annulene-1,4,7-trione
Also Known As: 6-phenylsulfanylbenzo[7]annulene-1,4,7-trione, NCI60_013375, 6-phenylthiobenzocycloheptene-1,4,7-trione, 6-Phenylthio-7H-benzocycloheptene-1,7-trione, 1H-Benzocycloheptene-1,4,7-trione, 6-(phenylthio)-
| Molecular Formula | C17H10O3S |
|---|---|
| Molecular Weight | 294.04 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 76.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 294.03506 |
| Heavy Atoms | 21 |
| Complexity | 628.0 |
Chemical Identifiers
| CAS Number | 138168-46-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=CC3=C(C=CC2=O)C(=O)C=CC3=O |
| InChIKey | UNYVVXCBULOCHL-UHFFFAOYSA-N |
Product Overview
6-Phenylsulfanylbenzo[7]annulene-1,4,7-trione (CAS 138168-46-4), with molecular formula C17H10O3S and molecular weight 294.04 g/mol. IUPAC: 6-phenylsulfanylbenzo[7]annulene-1,4,7-trione.
Chemical Property Profile of 6-Phenylsulfanylbenzo[7]annulene-1,4,7-trione
Property Insights of 6-Phenylsulfanylbenzo[7]annulene-1,4,7-trione
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Phenylsulfanylbenzo[7]annulene-1,4,7-trione. The TPSA of 76.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Phenylsulfanylbenzo[7]annulene-1,4,7-trione. Following Lipinski's Rule of Five, 6-Phenylsulfanylbenzo[7]annulene-1,4,7-trione 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 6-Phenylsulfanylbenzo[7]annulene-1,4,7-trione?
The CAS number of 6-Phenylsulfanylbenzo[7]annulene-1,4,7-trione is 138168-46-4.
What is the molecular formula of 6-Phenylsulfanylbenzo[7]annulene-1,4,7-trione?
The molecular formula of 6-Phenylsulfanylbenzo[7]annulene-1,4,7-trione is C17H10O3S.
What is the molecular weight of 6-Phenylsulfanylbenzo[7]annulene-1,4,7-trione?
The molecular weight of 6-Phenylsulfanylbenzo[7]annulene-1,4,7-trione is 294.04 g/mol.
Where can I buy 6-Phenylsulfanylbenzo[7]annulene-1,4,7-trione?
You can request a quote for 6-Phenylsulfanylbenzo[7]annulene-1,4,7-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Phenylsulfanylbenzo[7]annulene-1,4,7-trione?
Yes, KEHONG BIO provides custom synthesis services for 6-Phenylsulfanylbenzo[7]annulene-1,4,7-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.