3-Bromobenzanthrone
TL;DR: 3-Bromobenzanthrone (CAS 81-96-9) is a chemical compound with molecular formula C17H9BrO and molecular weight 307.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromobenzo[b]phenalen-7-one
Also Known As: 3-Bromobenzanthrone, 3-Brombenzanthrone, Benzanthrone, 3-bromo-, 7-Bromomesobenzanthrone, 3-bromobenzo[b]phenalen-7-one
| Molecular Formula | C17H9BrO |
|---|---|
| Molecular Weight | 307.98 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 307.98367 |
| Heavy Atoms | 19 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 81-96-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C4C(=C(C=C3)Br)C=CC=C4C2=O |
| InChIKey | WVECFEIAZAKUNF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Bromobenzanthrone (CAS 81-96-9), with molecular formula C17H9BrO and molecular weight 307.98 g/mol. IUPAC: 3-bromobenzo[b]phenalen-7-one.
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
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 307.98 g/mol.
Where can I buy 3-Bromobenzanthrone?
You can request a quote for 3-Bromobenzanthrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromobenzanthrone?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromobenzanthrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.