3-Bromobenzanthrone
TL;DR: 3-Bromobenzanthrone (CAS 81-96-9) is a chemical compound with molecular formula C17H9BrO and molecular weight 307.98367 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-bromobenzo[b]phenalen-7-one
Also Known As: 3-Bromobenzanthrone, 3-Brombenzanthrone, Benzanthrone, 3-bromo-, 7-Bromomesobenzanthrone, 3-bromobenzo[b]phenalen-7-one
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C17H9BrO |
| Molecular Weight | 307.98367 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 307.98367 Da |
| Heavy Atoms | 19 |
| Complexity | 379.0 |
| SMILES | C1=CC=C2C(=C1)C3=C4C(=C(C=C3)Br)C=CC=C4C2=O |
| InChIKey | WVECFEIAZAKUNF-UHFFFAOYSA-N |
Product Description
Applications: 3-Bromobenzanthrone is used in complex organic molecule assembly across discovery and process chemistry, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
3-Bromobenzanthrone is a organic building block identified by CAS number 81-96-9 and the molecular formula C17H9BrO and a molecular weight of 307.98 g/mol. Synonyms include 3-Bromobenzanthrone and 3-Brombenzanthrone.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 3-Bromobenzanthrone
Property Insights of 3-Bromobenzanthrone
The XLogP value of 5.0 indicates that 3-Bromobenzanthrone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Bromobenzanthrone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromobenzanthrone has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Bromobenzanthrone?
The CAS number of 3-Bromobenzanthrone is 81-96-9.
What is the molecular formula of 3-Bromobenzanthrone?
The molecular formula of 3-Bromobenzanthrone is C17H9BrO.
What is the molecular weight of 3-Bromobenzanthrone?
The molecular weight of 3-Bromobenzanthrone is 307.98367 g/mol.
What are the applications of 3-Bromobenzanthrone?
3-Bromobenzanthrone is used in complex organic molecule assembly across discovery and process chemistry, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 3-Bromobenzanthrone?
You can request a quote for 3-Bromobenzanthrone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Bromobenzanthrone?
Yes, CoreyChem provides custom synthesis services for 3-Bromobenzanthrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.