3-Amino-5-iodobenzonitrile
TL;DR: 3-Amino-5-iodobenzonitrile (CAS 49674-31-9) 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.
3-amino-5-iodobenzonitrile
Also Known As: 3-amino-5-iodobenzonitrile, 3-Iodo-5-methylbenzonitrile, 3-amino-5-iodo-benzonitrile, 3-amino-5-iodobenzenecarbonitrile, AB01333878-02
| 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 | 267.89786 |
Chemical Identifiers
| CAS Number | 49674-31-9 |
|---|---|
| SMILES | C1=C(C=C(C=C1N)I)C#N |
Product Overview
3-Amino-5-iodobenzonitrile (CAS 49674-31-9), with molecular formula C7H5IN2 and molecular weight 243.95 g/mol. IUPAC: 3-amino-5-iodobenzonitrile.
Chemical Property Profile of 3-Amino-5-iodobenzonitrile
Property Insights of 3-Amino-5-iodobenzonitrile
The XLogP value of 1.74508 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-5-iodobenzonitrile. With a topological polar surface area (TPSA) of 49.81 Ų, 3-Amino-5-iodobenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Amino-5-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 3-Amino-5-iodobenzonitrile?
The CAS number of 3-Amino-5-iodobenzonitrile is 49674-31-9.
What is the molecular formula of 3-Amino-5-iodobenzonitrile?
The molecular formula of 3-Amino-5-iodobenzonitrile is C7H5IN2.
What is the molecular weight of 3-Amino-5-iodobenzonitrile?
The molecular weight of 3-Amino-5-iodobenzonitrile is 243.95 g/mol.
Where can I buy 3-Amino-5-iodobenzonitrile?
You can request a quote for 3-Amino-5-iodobenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-5-iodobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-5-iodobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.