Benzonitrile, 3-amino-4-hydroxy-5-iodo-
TL;DR: Benzonitrile, 3-amino-4-hydroxy-5-iodo- (CAS 25845-15-2) is a chemical compound with molecular formula C7H5IN2O and molecular weight 259.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-4-hydroxy-5-iodobenzonitrile
Also Known As: 3-amino-4-hydroxy-5-iodobenzonitrile, 3-Iodo-4-hydroxy-5-aminobenzonitrile, Benzonitrile, 3-amino-4-hydroxy-5-iodo-, 3-amino-4-hydroxy-5-iodo-benzonitrile, RefChem:328030
| Molecular Formula | C7H5IN2O |
|---|---|
| Molecular Weight | 259.94 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 259.94467 |
| Heavy Atoms | 11 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 25845-15-2 |
|---|---|
| SMILES | C1=C(C=C(C(=C1N)O)I)C#N |
| InChIKey | UPUQKWATGHYOLW-UHFFFAOYSA-N |
Product Overview
Benzonitrile, 3-amino-4-hydroxy-5-iodo- (CAS 25845-15-2), with molecular formula C7H5IN2O and molecular weight 259.94 g/mol. IUPAC: 3-amino-4-hydroxy-5-iodobenzonitrile.
Chemical Property Profile of Benzonitrile, 3-amino-4-hydroxy-5-iodo-
Property Insights of Benzonitrile, 3-amino-4-hydroxy-5-iodo-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzonitrile, 3-amino-4-hydroxy-5-iodo-. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzonitrile, 3-amino-4-hydroxy-5-iodo-. Following Lipinski's Rule of Five, Benzonitrile, 3-amino-4-hydroxy-5-iodo- has 2 hydrogen bond donor(s) and 3 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, 3-amino-4-hydroxy-5-iodo-?
The CAS number of Benzonitrile, 3-amino-4-hydroxy-5-iodo- is 25845-15-2.
What is the molecular formula of Benzonitrile, 3-amino-4-hydroxy-5-iodo-?
The molecular formula of Benzonitrile, 3-amino-4-hydroxy-5-iodo- is C7H5IN2O.
What is the molecular weight of Benzonitrile, 3-amino-4-hydroxy-5-iodo-?
The molecular weight of Benzonitrile, 3-amino-4-hydroxy-5-iodo- is 259.94 g/mol.
Where can I buy Benzonitrile, 3-amino-4-hydroxy-5-iodo-?
You can request a quote for Benzonitrile, 3-amino-4-hydroxy-5-iodo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 3-amino-4-hydroxy-5-iodo-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 3-amino-4-hydroxy-5-iodo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.