1'-Hydroxybenzbromarone
TL;DR: 1'-Hydroxybenzbromarone (CAS 125729-46-6) is a chemical compound with molecular formula C17H12Br2O4 and molecular weight 437.91022 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3,5-dibromo-4-hydroxyphenyl)-[2-(1-hydroxyethyl)-1-benzofuran-3-yl]methanone
Also Known As: 1'-Hydroxybenzbromarone, 1/'-Hydroxybenzbromarone, 1 -Hydroxybenzbromarone, US9725430, Compound 1i, BENZBROMARONE METABOLITE M1
Technical Specifications
| Molecular Formula | C17H12Br2O4 |
| Molecular Weight | 437.91022 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 70.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 437.91022 Da |
| Heavy Atoms | 23 |
| Complexity | 434.0 |
| SMILES | CC(C1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)Br)O)Br)O |
| InChIKey | ZYHWDBVIUWBPCO-UHFFFAOYSA-N |
Chemical Property Profile of 1'-Hydroxybenzbromarone
Property Insights of 1'-Hydroxybenzbromarone
The XLogP value of 4.2 indicates that 1'-Hydroxybenzbromarone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1'-Hydroxybenzbromarone. Following Lipinski's Rule of Five, 1'-Hydroxybenzbromarone has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1'-Hydroxybenzbromarone?
The CAS number of 1'-Hydroxybenzbromarone is 125729-46-6.
What is the molecular formula of 1'-Hydroxybenzbromarone?
The molecular formula of 1'-Hydroxybenzbromarone is C17H12Br2O4.
What is the molecular weight of 1'-Hydroxybenzbromarone?
The molecular weight of 1'-Hydroxybenzbromarone is 437.91022 g/mol.
Where can I buy 1'-Hydroxybenzbromarone?
You can request a quote for 1'-Hydroxybenzbromarone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1'-Hydroxybenzbromarone?
Yes, CoreyChem provides custom synthesis services for 1'-Hydroxybenzbromarone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.