5-iodo-2-nitro-N-phenylaniline
TL;DR: 5-iodo-2-nitro-N-phenylaniline (CAS 958757-48-7) is a chemical compound with molecular formula C12H9IN2O2 and molecular weight 339.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-iodo-2-nitro-N-phenylaniline
Also Known As: ghl.PD_Mitscher_leg0.935, 5-iodo-2-nitro-N-phenylaniline, (5-iodo-2-nitro-phenyl)-phenyl-amine
| Molecular Formula | C12H9IN2O2 |
|---|---|
| Molecular Weight | 339.97 g/mol |
| LogP | 3.943 |
| Topological Polar Surface Area | 55.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.9709 |
| Heavy Atoms | 17 |
| Complexity | 543.45685 |
Chemical Identifiers
| CAS Number | 958757-48-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=C(C=CC(=C2)I)[N+](=O)[O-] |
Product Overview
5-iodo-2-nitro-N-phenylaniline (CAS 958757-48-7), with molecular formula C12H9IN2O2 and molecular weight 339.97 g/mol. IUPAC: 5-iodo-2-nitro-N-phenylaniline.
Chemical Property Profile of 5-iodo-2-nitro-N-phenylaniline
Property Insights of 5-iodo-2-nitro-N-phenylaniline
The XLogP value of 3.943 indicates that 5-iodo-2-nitro-N-phenylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.17 Ų, 5-iodo-2-nitro-N-phenylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-iodo-2-nitro-N-phenylaniline has 1 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 5-iodo-2-nitro-N-phenylaniline?
The CAS number of 5-iodo-2-nitro-N-phenylaniline is 958757-48-7.
What is the molecular formula of 5-iodo-2-nitro-N-phenylaniline?
The molecular formula of 5-iodo-2-nitro-N-phenylaniline is C12H9IN2O2.
What is the molecular weight of 5-iodo-2-nitro-N-phenylaniline?
The molecular weight of 5-iodo-2-nitro-N-phenylaniline is 339.97 g/mol.
Where can I buy 5-iodo-2-nitro-N-phenylaniline?
You can request a quote for 5-iodo-2-nitro-N-phenylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-iodo-2-nitro-N-phenylaniline?
Yes, KEHONG BIO provides custom synthesis services for 5-iodo-2-nitro-N-phenylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.