5-Iodo-o-toluidine
TL;DR: 5-Iodo-o-toluidine (CAS 517920-75-1) is a chemical compound with molecular formula C7H8IN and molecular weight 232.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-iodo-2-methylaniline
Also Known As: 5-Iodo-2-methylaniline, 2-Amino-4-iodotoluene, 5-Iodo-o-toluidine, Benzenamine, 5-iodo-2-methyl-, 5-iodo-2-methyl-aniline
| Molecular Formula | C7H8IN |
|---|---|
| Molecular Weight | 232.97 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 232.97015 |
| Heavy Atoms | 9 |
| Complexity | 94.0 |
Chemical Identifiers
| CAS Number | 517920-75-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)I)N |
| InChIKey | IOEHXNCBPIBDBZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Iodo-o-toluidine (CAS 517920-75-1), with molecular formula C7H8IN and molecular weight 232.97 g/mol. IUPAC: 5-iodo-2-methylaniline.
Chemical Property Profile of 5-Iodo-o-toluidine
Property Insights of 5-Iodo-o-toluidine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Iodo-o-toluidine. With a topological polar surface area (TPSA) of 26.0 Ų, 5-Iodo-o-toluidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Iodo-o-toluidine 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 5-Iodo-o-toluidine?
The CAS number of 5-Iodo-o-toluidine is 517920-75-1.
What is the molecular formula of 5-Iodo-o-toluidine?
The molecular formula of 5-Iodo-o-toluidine is C7H8IN.
What is the molecular weight of 5-Iodo-o-toluidine?
The molecular weight of 5-Iodo-o-toluidine is 232.97 g/mol.
Where can I buy 5-Iodo-o-toluidine?
You can request a quote for 5-Iodo-o-toluidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Iodo-o-toluidine?
Yes, KEHONG BIO provides custom synthesis services for 5-Iodo-o-toluidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.