3-Iodoaniline
TL;DR: 3-Iodoaniline (CAS 626-01-7) is a chemical compound with molecular formula C6H6IN and molecular weight 218.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-iodoaniline
Also Known As: 3-IODOANILINE, m-Iodoaniline, Benzenamine, 3-iodo-, Aniline, m-iodo-, m-Aminoiodobenzene
| Molecular Formula | C6H6IN |
|---|---|
| Molecular Weight | 218.95 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 218.9545 |
| Heavy Atoms | 8 |
| Complexity | 74.0 |
Chemical Identifiers
| CAS Number | 626-01-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)I)N |
| InChIKey | FFCSRWGYGMRBGD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Iodoaniline (CAS 626-01-7), with molecular formula C6H6IN and molecular weight 218.95 g/mol. IUPAC: 3-iodoaniline.
Chemical Property Profile of 3-Iodoaniline
Property Insights of 3-Iodoaniline
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Iodoaniline. With a topological polar surface area (TPSA) of 26.0 Ų, 3-Iodoaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Iodoaniline has 1 hydrogen bond donor(s) and 1 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-Iodoaniline?
The CAS number of 3-Iodoaniline is 626-01-7.
What is the molecular formula of 3-Iodoaniline?
The molecular formula of 3-Iodoaniline is C6H6IN.
What is the molecular weight of 3-Iodoaniline?
The molecular weight of 3-Iodoaniline is 218.95 g/mol.
Where can I buy 3-Iodoaniline?
You can request a quote for 3-Iodoaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Iodoaniline?
Yes, KEHONG BIO provides custom synthesis services for 3-Iodoaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.