4-Amino-3-iodobenzonitrile
TL;DR: 4-Amino-3-iodobenzonitrile (CAS 33348-34-4) is a chemical compound with molecular formula C7H5IN2 and molecular weight 243.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3-iodobenzonitrile
Also Known As: 4-Amino-3-iodobenzonitrile, 4-Cyano-2-iodoaniline, 2-iodo-4-cyanoaniline, 4-cyano-6-iodoaniline, 4-AMINO-2-IODOBENZONITRILE
| Molecular Formula | C7H5IN2 |
|---|---|
| Molecular Weight | 243.95 g/mol |
| LogP | 1.74508 |
| Topological Polar Surface Area | 49.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 243.94975 |
| Heavy Atoms | 10 |
| Complexity | 288.14786 |
Chemical Identifiers
| CAS Number | 33348-34-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1C#N)I)N |
Product Overview
4-Amino-3-iodobenzonitrile (CAS 33348-34-4), with molecular formula C7H5IN2 and molecular weight 243.95 g/mol. IUPAC: 4-amino-3-iodobenzonitrile.
Chemical Property Profile of 4-Amino-3-iodobenzonitrile
Property Insights of 4-Amino-3-iodobenzonitrile
The XLogP value of 1.74508 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-3-iodobenzonitrile. With a topological polar surface area (TPSA) of 49.81 Ų, 4-Amino-3-iodobenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Amino-3-iodobenzonitrile has 1 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 4-Amino-3-iodobenzonitrile?
The CAS number of 4-Amino-3-iodobenzonitrile is 33348-34-4.
What is the molecular formula of 4-Amino-3-iodobenzonitrile?
The molecular formula of 4-Amino-3-iodobenzonitrile is C7H5IN2.
What is the molecular weight of 4-Amino-3-iodobenzonitrile?
The molecular weight of 4-Amino-3-iodobenzonitrile is 243.95 g/mol.
Where can I buy 4-Amino-3-iodobenzonitrile?
You can request a quote for 4-Amino-3-iodobenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-3-iodobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-3-iodobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.