3,3'-Thiobis(7H-benz(de)anthracen-7-one)
TL;DR: 3,3'-Thiobis(7H-benz(de)anthracen-7-one) (CAS 81-95-8) is a chemical compound with molecular formula C34H18O2S and molecular weight 490.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(7-oxobenzo[a]phenalen-3-yl)sulfanylbenzo[b]phenalen-7-one
Also Known As: 3,3'-Thiobis(7H-benz(de)anthracen-7-one), 3,3'-Thiobis[7H-benz[de]anthracen-7-one], 3,3 -Dibenzanthronyl sulfide, 7H-Benz(de)anthracen-7-one, 3,3'-thiobis-, 7H-Benz[de]anthracen-7-one, 3,3'-thiobis-
| Molecular Formula | C34H18O2S |
|---|---|
| Molecular Weight | 490.10 g/mol |
| LogP | 8.8 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 490.10275 |
| Heavy Atoms | 37 |
| Complexity | 841.0 |
Chemical Identifiers
| CAS Number | 81-95-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C4C(=C(C=C3)SC5=C6C=CC=C7C6=C(C=C5)C8=CC=CC=C8C7=O)C=CC=C4C2=O |
| InChIKey | LCZJUUYGFMLYCS-UHFFFAOYSA-N |
Product Overview
3,3'-Thiobis(7H-benz(de)anthracen-7-one) (CAS 81-95-8), with molecular formula C34H18O2S and molecular weight 490.10 g/mol. IUPAC: 3-(7-oxobenzo[a]phenalen-3-yl)sulfanylbenzo[b]phenalen-7-one.
Chemical Property Profile of 3,3'-Thiobis(7H-benz(de)anthracen-7-one)
Property Insights of 3,3'-Thiobis(7H-benz(de)anthracen-7-one)
The XLogP value of 8.8 indicates that 3,3'-Thiobis(7H-benz(de)anthracen-7-one) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.4 Ų, 3,3'-Thiobis(7H-benz(de)anthracen-7-one) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3'-Thiobis(7H-benz(de)anthracen-7-one) has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,3'-Thiobis(7H-benz(de)anthracen-7-one)?
The CAS number of 3,3'-Thiobis(7H-benz(de)anthracen-7-one) is 81-95-8.
What is the molecular formula of 3,3'-Thiobis(7H-benz(de)anthracen-7-one)?
The molecular formula of 3,3'-Thiobis(7H-benz(de)anthracen-7-one) is C34H18O2S.
What is the molecular weight of 3,3'-Thiobis(7H-benz(de)anthracen-7-one)?
The molecular weight of 3,3'-Thiobis(7H-benz(de)anthracen-7-one) is 490.10 g/mol.
Where can I buy 3,3'-Thiobis(7H-benz(de)anthracen-7-one)?
You can request a quote for 3,3'-Thiobis(7H-benz(de)anthracen-7-one) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-Thiobis(7H-benz(de)anthracen-7-one)?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-Thiobis(7H-benz(de)anthracen-7-one) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.