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[Hydroxy (p-nitrobenzenesulfonyloxy]iodo]benzene
TL;DR: [Hydroxy (p-nitrobenzenesulfonyloxy]iodo]benzene (CAS 61477-33-6) is a chemical compound with molecular formula C12H10INO6S and molecular weight 422.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[hydroxy(phenyl)-λ3-iodanyl] 4-nitrobenzenesulfonate
Also Known As: [hydroxy(phenyl)-|HNIB|[hydroxy (p-nitrobenzenesulfonyloxy]iodo]benzene|J1.141.740J|[Hydroxy(4-nitrophenylsulfonyloxy)iodo(III)]benzene|Hydroxyphenyl(4-nitrophenylsulfonyloxy) iodine(III)|Phenylhydroxy(4-nitrophenylsulfonyloxy) iodine(III)|hydroxy phenyl 4-nitrobenzene-1-sulfonoperoxoyl iodide|[hydroxy(phenyl)-lambda3-iodanyl] 4-nitrobenzenesulfonate|Hydroxy[(4-nitrobenzene-1-sulfonyl)oxy](phenyl)-lambda~3~-iodane|NSVNZCQNQVFHHH-UHFFFAOYSA-N
| Molecular Formula | C12H10INO6S |
|---|---|
| Molecular Weight | 422.93 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.92737 |
| Heavy Atoms | 21 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 61477-33-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)I(O)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | NSVNZCQNQVFHHH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
[Hydroxy (p-nitrobenzenesulfonyloxy]iodo]benzene (CAS 61477-33-6), with molecular formula C12H10INO6S and molecular weight 422.93 g/mol. IUPAC: [hydroxy(phenyl)-λ3-iodanyl] 4-nitrobenzenesulfonate.
Chemical Property Profile of [Hydroxy (p-nitrobenzenesulfonyloxy]iodo]benzene
Property Insights of [Hydroxy (p-nitrobenzenesulfonyloxy]iodo]benzene
The XLogP value of 3.1 indicates that [Hydroxy (p-nitrobenzenesulfonyloxy]iodo]benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [Hydroxy (p-nitrobenzenesulfonyloxy]iodo]benzene. Following Lipinski's Rule of Five, [Hydroxy (p-nitrobenzenesulfonyloxy]iodo]benzene has 1 hydrogen bond donor(s) and 6 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 [Hydroxy (p-nitrobenzenesulfonyloxy]iodo]benzene?
The CAS number of [Hydroxy (p-nitrobenzenesulfonyloxy]iodo]benzene is 61477-33-6.
What is the molecular formula of [Hydroxy (p-nitrobenzenesulfonyloxy]iodo]benzene?
The molecular formula of [Hydroxy (p-nitrobenzenesulfonyloxy]iodo]benzene is C12H10INO6S.
What is the molecular weight of [Hydroxy (p-nitrobenzenesulfonyloxy]iodo]benzene?
The molecular weight of [Hydroxy (p-nitrobenzenesulfonyloxy]iodo]benzene is 422.93 g/mol.
Where can I buy [Hydroxy (p-nitrobenzenesulfonyloxy]iodo]benzene?
You can request a quote for [Hydroxy (p-nitrobenzenesulfonyloxy]iodo]benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [Hydroxy (p-nitrobenzenesulfonyloxy]iodo]benzene?
Yes, KEHONG BIO provides custom synthesis services for [Hydroxy (p-nitrobenzenesulfonyloxy]iodo]benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.