Benzonitrile, 4-(acetyloxy)-3-iodo-5-nitro-
TL;DR: Benzonitrile, 4-(acetyloxy)-3-iodo-5-nitro- (CAS 25844-86-4) is a chemical compound with molecular formula C9H5IN2O4 and molecular weight 331.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-cyano-2-iodo-6-nitrophenyl) acetate
Also Known As: 4-cyano-2-iodo-6-nitrophenyl acetate, Benzonitrile, 4-(acetyloxy)-3-iodo-5-nitro-, (4-cyano-2-iodo-6-nitrophenyl) acetate, (4-cyano-2-iodo-6-nitro-phenyl) Acetate, Acetic acid 2-nitro-4-cyano-6-iodophenyl ester
| Molecular Formula | C9H5IN2O4 |
|---|---|
| Molecular Weight | 331.93 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 95.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 331.9294 |
| Heavy Atoms | 16 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 25844-86-4 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1I)C#N)[N+](=O)[O-] |
| InChIKey | QHGMPFOYGZNZQM-UHFFFAOYSA-N |
Product Overview
Benzonitrile, 4-(acetyloxy)-3-iodo-5-nitro- (CAS 25844-86-4), with molecular formula C9H5IN2O4 and molecular weight 331.93 g/mol. IUPAC: (4-cyano-2-iodo-6-nitrophenyl) acetate.
Chemical Property Profile of Benzonitrile, 4-(acetyloxy)-3-iodo-5-nitro-
Property Insights of Benzonitrile, 4-(acetyloxy)-3-iodo-5-nitro-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzonitrile, 4-(acetyloxy)-3-iodo-5-nitro-. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzonitrile, 4-(acetyloxy)-3-iodo-5-nitro-. Following Lipinski's Rule of Five, Benzonitrile, 4-(acetyloxy)-3-iodo-5-nitro- has 0 hydrogen bond donor(s) and 5 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 Benzonitrile, 4-(acetyloxy)-3-iodo-5-nitro-?
The CAS number of Benzonitrile, 4-(acetyloxy)-3-iodo-5-nitro- is 25844-86-4.
What is the molecular formula of Benzonitrile, 4-(acetyloxy)-3-iodo-5-nitro-?
The molecular formula of Benzonitrile, 4-(acetyloxy)-3-iodo-5-nitro- is C9H5IN2O4.
What is the molecular weight of Benzonitrile, 4-(acetyloxy)-3-iodo-5-nitro-?
The molecular weight of Benzonitrile, 4-(acetyloxy)-3-iodo-5-nitro- is 331.93 g/mol.
Where can I buy Benzonitrile, 4-(acetyloxy)-3-iodo-5-nitro-?
You can request a quote for Benzonitrile, 4-(acetyloxy)-3-iodo-5-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 4-(acetyloxy)-3-iodo-5-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 4-(acetyloxy)-3-iodo-5-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.