6-Iodo-3H-isobenzofuran-1-one
TL;DR: 6-Iodo-3H-isobenzofuran-1-one (CAS 53910-10-4) is a chemical compound with molecular formula C8H5IO2 and molecular weight 259.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-iodo-3H-2-benzofuran-1-one
Also Known As: 6-iodoisobenzofuran-1(3h)-one, 6-Iodophthalide, 6-IODO-3H-ISOBENZOFURAN-1-ONE, 6-iodo-3 h-isobenzofuran-1-one, 6-iodo-3H-2-benzofuran-1-one
| Molecular Formula | C8H5IO2 |
|---|---|
| Molecular Weight | 259.93 g/mol |
| LogP | 1.9616 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 259.93344 |
| Heavy Atoms | 11 |
| Complexity | 319.86813 |
Chemical Identifiers
| CAS Number | 53910-10-4 |
|---|---|
| SMILES | C1C2=C(C=C(C=C2)I)C(=O)O1 |
Product Overview
6-Iodo-3H-isobenzofuran-1-one (CAS 53910-10-4), with molecular formula C8H5IO2 and molecular weight 259.93 g/mol. IUPAC: 6-iodo-3H-2-benzofuran-1-one.
Chemical Property Profile of 6-Iodo-3H-isobenzofuran-1-one
Property Insights of 6-Iodo-3H-isobenzofuran-1-one
The XLogP value of 1.9616 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Iodo-3H-isobenzofuran-1-one. With a topological polar surface area (TPSA) of 26.3 Ų, 6-Iodo-3H-isobenzofuran-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Iodo-3H-isobenzofuran-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 6-Iodo-3H-isobenzofuran-1-one?
The CAS number of 6-Iodo-3H-isobenzofuran-1-one is 53910-10-4.
What is the molecular formula of 6-Iodo-3H-isobenzofuran-1-one?
The molecular formula of 6-Iodo-3H-isobenzofuran-1-one is C8H5IO2.
What is the molecular weight of 6-Iodo-3H-isobenzofuran-1-one?
The molecular weight of 6-Iodo-3H-isobenzofuran-1-one is 259.93 g/mol.
Where can I buy 6-Iodo-3H-isobenzofuran-1-one?
You can request a quote for 6-Iodo-3H-isobenzofuran-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Iodo-3H-isobenzofuran-1-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Iodo-3H-isobenzofuran-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.