4-(4-Bromophenyl)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
TL;DR: 4-(4-Bromophenyl)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione (CAS 92152-61-9) is a chemical compound with molecular formula C14H11BrO3 and molecular weight 305.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromophenyl)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
Also Known As: BAS 00216583, 4-(4-Bromophenyl)-3a,4,7,7a-tetrahydro-1,3-isobenzofurandione, 4-(4-bromophenyl)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione, 4-(4-Bromo-phenyl)-3a,4,7,7a-tetrahydro-isobenzofuran-1,3-dione
| Molecular Formula | C14H11BrO3 |
|---|---|
| Molecular Weight | 305.99 g/mol |
| LogP | 2.8084 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 305.98917 |
| Heavy Atoms | 18 |
| Complexity | 532.47504 |
Chemical Identifiers
| CAS Number | 92152-61-9 |
|---|---|
| SMILES | C1C=CC(C2C1C(=O)OC2=O)C3=CC=C(C=C3)Br |
Product Overview
4-(4-Bromophenyl)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione (CAS 92152-61-9), with molecular formula C14H11BrO3 and molecular weight 305.99 g/mol. IUPAC: 4-(4-bromophenyl)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione.
Chemical Property Profile of 4-(4-Bromophenyl)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
Property Insights of 4-(4-Bromophenyl)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
The XLogP value of 2.8084 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Bromophenyl)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione. With a topological polar surface area (TPSA) of 43.37 Ų, 4-(4-Bromophenyl)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Bromophenyl)-3a,4,7,7a-tetrahydro-2-benzofuran-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 4-(4-Bromophenyl)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione?
The CAS number of 4-(4-Bromophenyl)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione is 92152-61-9.
What is the molecular formula of 4-(4-Bromophenyl)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione?
The molecular formula of 4-(4-Bromophenyl)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione is C14H11BrO3.
What is the molecular weight of 4-(4-Bromophenyl)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione?
The molecular weight of 4-(4-Bromophenyl)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione is 305.99 g/mol.
Where can I buy 4-(4-Bromophenyl)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione?
You can request a quote for 4-(4-Bromophenyl)-3a,4,7,7a-tetrahydro-2-benzofuran-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 4-(4-Bromophenyl)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Bromophenyl)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.