5,6-Dibromohexahydroisobenzofuran-1,3-dione
TL;DR: 5,6-Dibromohexahydroisobenzofuran-1,3-dione (CAS 23893-84-7) is a chemical compound with molecular formula C8H8Br2O3 and molecular weight 309.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dibromo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione
Also Known As: 5,6-Dibromohexahydroisobenzofuran-1,3-dione, 5,6-dibromohexahydro-2-benzofuran-1,3-dione, 4,5-Dibromohexahydrophthalic anhydride, 5,6-dibromo-octahydro-2-benzofuran-1,3-dione, 1,3-Isobenzofurandione, 5,6-dibromohexahydro-
| Molecular Formula | C8H8Br2O3 |
|---|---|
| Molecular Weight | 309.88 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 311.88196 |
| Heavy Atoms | 13 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 23893-84-7 |
|---|---|
| SMILES | C1C2C(CC(C1Br)Br)C(=O)OC2=O |
| InChIKey | MTFOVFKEUAKPNY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,6-Dibromohexahydroisobenzofuran-1,3-dione (CAS 23893-84-7), with molecular formula C8H8Br2O3 and molecular weight 309.88 g/mol. IUPAC: 5,6-dibromo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione.
Chemical Property Profile of 5,6-Dibromohexahydroisobenzofuran-1,3-dione
Property Insights of 5,6-Dibromohexahydroisobenzofuran-1,3-dione
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6-Dibromohexahydroisobenzofuran-1,3-dione. With a topological polar surface area (TPSA) of 43.4 Ų, 5,6-Dibromohexahydroisobenzofuran-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6-Dibromohexahydroisobenzofuran-1,3-dione 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 5,6-Dibromohexahydroisobenzofuran-1,3-dione?
The CAS number of 5,6-Dibromohexahydroisobenzofuran-1,3-dione is 23893-84-7.
What is the molecular formula of 5,6-Dibromohexahydroisobenzofuran-1,3-dione?
The molecular formula of 5,6-Dibromohexahydroisobenzofuran-1,3-dione is C8H8Br2O3.
What is the molecular weight of 5,6-Dibromohexahydroisobenzofuran-1,3-dione?
The molecular weight of 5,6-Dibromohexahydroisobenzofuran-1,3-dione is 309.88 g/mol.
Where can I buy 5,6-Dibromohexahydroisobenzofuran-1,3-dione?
You can request a quote for 5,6-Dibromohexahydroisobenzofuran-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6-Dibromohexahydroisobenzofuran-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 5,6-Dibromohexahydroisobenzofuran-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.