5-(Bromomethyl)-1,3-dihydroisobenzofuran-1-one
TL;DR: 5-(Bromomethyl)-1,3-dihydroisobenzofuran-1-one (CAS 63113-10-0) is a chemical compound with molecular formula C9H7BrO2 and molecular weight 225.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(bromomethyl)-3H-2-benzofuran-1-one
Also Known As: 5-Brommethylphthalid, 5-(bromomethyl)-3H-2-benzofuran-1-one, 5-(Bromomethyl)isobenzofuran-1(3H)-one, 5-(bromomethyl)-1,3-dihydro-2-benzofuran-1-one, 5-(bromomethyl)-1,3-dihydroisobenzofuran-1-one
| Molecular Formula | C9H7BrO2 |
|---|---|
| Molecular Weight | 225.96 g/mol |
| LogP | 2.2519 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.96294 |
| Heavy Atoms | 12 |
| Complexity | 333.30048 |
Chemical Identifiers
| CAS Number | 63113-10-0 |
|---|---|
| SMILES | C1C2=C(C=CC(=C2)CBr)C(=O)O1 |
Product Overview
5-(Bromomethyl)-1,3-dihydroisobenzofuran-1-one (CAS 63113-10-0), with molecular formula C9H7BrO2 and molecular weight 225.96 g/mol. IUPAC: 5-(bromomethyl)-3H-2-benzofuran-1-one.
Chemical Property Profile of 5-(Bromomethyl)-1,3-dihydroisobenzofuran-1-one
Property Insights of 5-(Bromomethyl)-1,3-dihydroisobenzofuran-1-one
The XLogP value of 2.2519 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Bromomethyl)-1,3-dihydroisobenzofuran-1-one. With a topological polar surface area (TPSA) of 26.3 Ų, 5-(Bromomethyl)-1,3-dihydroisobenzofuran-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Bromomethyl)-1,3-dihydroisobenzofuran-1-one has 0 hydrogen bond donor(s) and 2 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-(Bromomethyl)-1,3-dihydroisobenzofuran-1-one?
The CAS number of 5-(Bromomethyl)-1,3-dihydroisobenzofuran-1-one is 63113-10-0.
What is the molecular formula of 5-(Bromomethyl)-1,3-dihydroisobenzofuran-1-one?
The molecular formula of 5-(Bromomethyl)-1,3-dihydroisobenzofuran-1-one is C9H7BrO2.
What is the molecular weight of 5-(Bromomethyl)-1,3-dihydroisobenzofuran-1-one?
The molecular weight of 5-(Bromomethyl)-1,3-dihydroisobenzofuran-1-one is 225.96 g/mol.
Where can I buy 5-(Bromomethyl)-1,3-dihydroisobenzofuran-1-one?
You can request a quote for 5-(Bromomethyl)-1,3-dihydroisobenzofuran-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Bromomethyl)-1,3-dihydroisobenzofuran-1-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(Bromomethyl)-1,3-dihydroisobenzofuran-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.