1-Acetoxy-1,2-benziodoxol-3-one
TL;DR: 1-Acetoxy-1,2-benziodoxol-3-one (CAS 1829-26-1) is a chemical compound with molecular formula C9H7IO4 and molecular weight 305.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-oxo-1λ3,2-benziodoxol-1-yl) acetate
Also Known As: 1-Acetoxy-1,2-benziodoxol-3-(1H)-one, 1,2-Benziodoxol-3(1H)-one, 1-(acetyloxy)-, Revefenacin Impurity 131, (3-oxo-1, 1-Acetoxy-1,2-benziodoxol-3-one
| Molecular Formula | C9H7IO4 |
|---|---|
| Molecular Weight | 305.94 g/mol |
| LogP | 1.9261 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 305.9389 |
| Heavy Atoms | 14 |
| Complexity | 399.55334 |
Chemical Identifiers
| CAS Number | 1829-26-1 |
|---|---|
| SMILES | CC(=O)OI1C2=CC=CC=C2C(=O)O1 |
Product Overview
1-Acetoxy-1,2-benziodoxol-3-one (CAS 1829-26-1), with molecular formula C9H7IO4 and molecular weight 305.94 g/mol. IUPAC: (3-oxo-1λ3,2-benziodoxol-1-yl) acetate.
Chemical Property Profile of 1-Acetoxy-1,2-benziodoxol-3-one
Property Insights of 1-Acetoxy-1,2-benziodoxol-3-one
The XLogP value of 1.9261 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Acetoxy-1,2-benziodoxol-3-one. With a topological polar surface area (TPSA) of 52.6 Ų, 1-Acetoxy-1,2-benziodoxol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Acetoxy-1,2-benziodoxol-3-one has 0 hydrogen bond donor(s) and 4 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 1-Acetoxy-1,2-benziodoxol-3-one?
The CAS number of 1-Acetoxy-1,2-benziodoxol-3-one is 1829-26-1.
What is the molecular formula of 1-Acetoxy-1,2-benziodoxol-3-one?
The molecular formula of 1-Acetoxy-1,2-benziodoxol-3-one is C9H7IO4.
What is the molecular weight of 1-Acetoxy-1,2-benziodoxol-3-one?
The molecular weight of 1-Acetoxy-1,2-benziodoxol-3-one is 305.94 g/mol.
Where can I buy 1-Acetoxy-1,2-benziodoxol-3-one?
You can request a quote for 1-Acetoxy-1,2-benziodoxol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Acetoxy-1,2-benziodoxol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Acetoxy-1,2-benziodoxol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.