7H-Benz(de)anthracen-7-one, 3,9-dibromo-
TL;DR: 7H-Benz(de)anthracen-7-one, 3,9-dibromo- (CAS 81-98-1) is a chemical compound with molecular formula C17H8Br2O and molecular weight 385.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,9-dibromobenzo[b]phenalen-7-one
Also Known As: 3,9-Dibromobenzanthrone, 3,9-Dibrombenzanthrone, Transergan, 2,7-Dibromomesobenzanthrone, 6-Bz-1-dibrombenzanthron
| Molecular Formula | C17H8Br2O |
|---|---|
| Molecular Weight | 385.89 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 387.89215 |
| Heavy Atoms | 20 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 81-98-1 |
|---|---|
| SMILES | C1=CC2=C(C=CC3=C2C(=C1)C(=O)C4=C3C=CC(=C4)Br)Br |
| InChIKey | XBZKJGBIPSQKAU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7H-Benz(de)anthracen-7-one, 3,9-dibromo- (CAS 81-98-1), with molecular formula C17H8Br2O and molecular weight 385.89 g/mol. IUPAC: 3,9-dibromobenzo[b]phenalen-7-one.
Chemical Property Profile of 7H-Benz(de)anthracen-7-one, 3,9-dibromo-
Property Insights of 7H-Benz(de)anthracen-7-one, 3,9-dibromo-
The XLogP value of 5.7 indicates that 7H-Benz(de)anthracen-7-one, 3,9-dibromo- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 7H-Benz(de)anthracen-7-one, 3,9-dibromo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7H-Benz(de)anthracen-7-one, 3,9-dibromo- has 0 hydrogen bond donor(s) and 1 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)anthracen-7-one, 3,9-dibromo-?
The CAS number of 7H-Benz(de)anthracen-7-one, 3,9-dibromo- is 81-98-1.
What is the molecular formula of 7H-Benz(de)anthracen-7-one, 3,9-dibromo-?
The molecular formula of 7H-Benz(de)anthracen-7-one, 3,9-dibromo- is C17H8Br2O.
What is the molecular weight of 7H-Benz(de)anthracen-7-one, 3,9-dibromo-?
The molecular weight of 7H-Benz(de)anthracen-7-one, 3,9-dibromo- is 385.89 g/mol.
Where can I buy 7H-Benz(de)anthracen-7-one, 3,9-dibromo-?
You can request a quote for 7H-Benz(de)anthracen-7-one, 3,9-dibromo- 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)anthracen-7-one, 3,9-dibromo-?
Yes, KEHONG BIO provides custom synthesis services for 7H-Benz(de)anthracen-7-one, 3,9-dibromo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.