3H-1,2-Benziodoxol-1-ium, 3-oxo-, chloride
TL;DR: 3H-1,2-Benziodoxol-1-ium, 3-oxo-, chloride (CAS 73698-48-3) is a chemical compound with molecular formula C7H4ClIO2 and molecular weight 281.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-iodonia-8-oxabicyclo[4.3.0]nona-1,3,5-trien-9-one chloride
Also Known As: 3-Oxo-3H-2,1-benzoxiodolium chloride, 3H-1,2-Benziodoxol-1-ium, 3-oxo-, chloride, 3-Oxo-3H-1,2-benziodoxol-1-ium chloride, 3H-1,2-Benziodoxol-1-ium,3-oxo-, chloride (1:1), 7-iodonia-8-oxabicyclo[4.3.0]nona-1,3,5-trien-9-one chloride
| Molecular Formula | C7H4ClIO2 |
|---|---|
| Molecular Weight | 281.89 g/mol |
| LogP | -4.9654 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 281.89444 |
| Heavy Atoms | 11 |
| Complexity | 287.524 |
Chemical Identifiers
| CAS Number | 73698-48-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)O[I+]2.[Cl-] |
Product Overview
3H-1,2-Benziodoxol-1-ium, 3-oxo-, chloride (CAS 73698-48-3), with molecular formula C7H4ClIO2 and molecular weight 281.89 g/mol. IUPAC: 7-iodonia-8-oxabicyclo[4.3.0]nona-1,3,5-trien-9-one chloride.
Chemical Property Profile of 3H-1,2-Benziodoxol-1-ium, 3-oxo-, chloride
Property Insights of 3H-1,2-Benziodoxol-1-ium, 3-oxo-, chloride
The XLogP value of -4.9654 indicates that 3H-1,2-Benziodoxol-1-ium, 3-oxo-, chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 26.3 Ų, 3H-1,2-Benziodoxol-1-ium, 3-oxo-, chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-1,2-Benziodoxol-1-ium, 3-oxo-, chloride 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 3H-1,2-Benziodoxol-1-ium, 3-oxo-, chloride?
The CAS number of 3H-1,2-Benziodoxol-1-ium, 3-oxo-, chloride is 73698-48-3.
What is the molecular formula of 3H-1,2-Benziodoxol-1-ium, 3-oxo-, chloride?
The molecular formula of 3H-1,2-Benziodoxol-1-ium, 3-oxo-, chloride is C7H4ClIO2.
What is the molecular weight of 3H-1,2-Benziodoxol-1-ium, 3-oxo-, chloride?
The molecular weight of 3H-1,2-Benziodoxol-1-ium, 3-oxo-, chloride is 281.89 g/mol.
Where can I buy 3H-1,2-Benziodoxol-1-ium, 3-oxo-, chloride?
You can request a quote for 3H-1,2-Benziodoxol-1-ium, 3-oxo-, chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-1,2-Benziodoxol-1-ium, 3-oxo-, chloride?
Yes, KEHONG BIO provides custom synthesis services for 3H-1,2-Benziodoxol-1-ium, 3-oxo-, chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.