7H-Benz(de)anthracene-7-one, 3-((1,1-dimethylethyl)thio)-
TL;DR: 7H-Benz(de)anthracene-7-one, 3-((1,1-dimethylethyl)thio)- (CAS 69822-75-9) is a chemical compound with molecular formula C21H18OS and molecular weight 318.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butylsulfanylbenzo[b]phenalen-7-one
Also Known As: 3-tert-butylsulfanylbenzo[b]phenalen-7-one, 7H-Benz(de)anthracene-7-one, 3-((1,1-dimethylethyl)thio)-, 3-((1,1-Dimethylethyl)thio)-7H-benz(de)anthracene-7-one, 3-(tert-butylsulfanyl)-7H-benzo[de]anthracen-7-one, 7H-Benz[de]anthracen-7-one, 3-[(1,1-dimethylethyl)thio]-
| Molecular Formula | C21H18OS |
|---|---|
| Molecular Weight | 318.11 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 318.10785 |
| Heavy Atoms | 23 |
| Complexity | 465.0 |
Chemical Identifiers
| CAS Number | 69822-75-9 |
|---|---|
| SMILES | CC(C)(C)SC1=C2C=CC=C3C2=C(C=C1)C4=CC=CC=C4C3=O |
| InChIKey | YTGHHVRSAGJVME-UHFFFAOYSA-N |
Product Overview
7H-Benz(de)anthracene-7-one, 3-((1,1-dimethylethyl)thio)- (CAS 69822-75-9), with molecular formula C21H18OS and molecular weight 318.11 g/mol. IUPAC: 3-tert-butylsulfanylbenzo[b]phenalen-7-one.
Chemical Property Profile of 7H-Benz(de)anthracene-7-one, 3-((1,1-dimethylethyl)thio)-
Property Insights of 7H-Benz(de)anthracene-7-one, 3-((1,1-dimethylethyl)thio)-
The XLogP value of 5.8 indicates that 7H-Benz(de)anthracene-7-one, 3-((1,1-dimethylethyl)thio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, 7H-Benz(de)anthracene-7-one, 3-((1,1-dimethylethyl)thio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7H-Benz(de)anthracene-7-one, 3-((1,1-dimethylethyl)thio)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7H-Benz(de)anthracene-7-one, 3-((1,1-dimethylethyl)thio)-?
The CAS number of 7H-Benz(de)anthracene-7-one, 3-((1,1-dimethylethyl)thio)- is 69822-75-9.
What is the molecular formula of 7H-Benz(de)anthracene-7-one, 3-((1,1-dimethylethyl)thio)-?
The molecular formula of 7H-Benz(de)anthracene-7-one, 3-((1,1-dimethylethyl)thio)- is C21H18OS.
What is the molecular weight of 7H-Benz(de)anthracene-7-one, 3-((1,1-dimethylethyl)thio)-?
The molecular weight of 7H-Benz(de)anthracene-7-one, 3-((1,1-dimethylethyl)thio)- is 318.11 g/mol.
Where can I buy 7H-Benz(de)anthracene-7-one, 3-((1,1-dimethylethyl)thio)-?
You can request a quote for 7H-Benz(de)anthracene-7-one, 3-((1,1-dimethylethyl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7H-Benz(de)anthracene-7-one, 3-((1,1-dimethylethyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for 7H-Benz(de)anthracene-7-one, 3-((1,1-dimethylethyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.