3-Bromophthalic Anhydride
TL;DR: 3-Bromophthalic Anhydride (CAS 30606-84-9) is a chemical compound with molecular formula C8H3BrO3 and molecular weight 225.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-2-benzofuran-1,3-dione
Also Known As: 3-Bromophthalic anhydride, 4-Bromoisobenzofuran-1,3-dione, Trinitroresorcinol, 4-bromo-2-benzofuran-1,3-dione, 4-Bromophthalic anhydride
| Molecular Formula | C8H3BrO3 |
|---|---|
| Molecular Weight | 225.93 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 225.92656 |
| Heavy Atoms | 12 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 30606-84-9 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)Br)C(=O)OC2=O |
| InChIKey | AQBFKBMMIDHCFS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Bromophthalic Anhydride (CAS 30606-84-9), with molecular formula C8H3BrO3 and molecular weight 225.93 g/mol. IUPAC: 4-bromo-2-benzofuran-1,3-dione.
Chemical Property Profile of 3-Bromophthalic Anhydride
Property Insights of 3-Bromophthalic Anhydride
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromophthalic Anhydride. With a topological polar surface area (TPSA) of 43.4 Ų, 3-Bromophthalic Anhydride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromophthalic Anhydride has 0 hydrogen bond donor(s) and 3 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-Bromophthalic Anhydride?
The CAS number of 3-Bromophthalic Anhydride is 30606-84-9.
What is the molecular formula of 3-Bromophthalic Anhydride?
The molecular formula of 3-Bromophthalic Anhydride is C8H3BrO3.
What is the molecular weight of 3-Bromophthalic Anhydride?
The molecular weight of 3-Bromophthalic Anhydride is 225.93 g/mol.
Where can I buy 3-Bromophthalic Anhydride?
You can request a quote for 3-Bromophthalic Anhydride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromophthalic Anhydride?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromophthalic Anhydride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.