N,N-Diethyl-4-iodoaniline
TL;DR: N,N-Diethyl-4-iodoaniline (CAS 57702-49-5) is a chemical compound with molecular formula C10H14IN and molecular weight 275.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-4-iodoaniline
Also Known As: N,N-Diethyl-4-iodoaniline, N,N-DIETHYL-4-IODOBENZENAMINE, p-iodo-N,N-diethylaniline, Diethyl(4-iodophenyl)amine, 4-Iodo-N,N-diethylaniline
| Molecular Formula | C10H14IN |
|---|---|
| Molecular Weight | 275.02 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.0171 |
| Heavy Atoms | 12 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 57702-49-5 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)I |
| InChIKey | MQSLKAHRPPLMAA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N-Diethyl-4-iodoaniline (CAS 57702-49-5), with molecular formula C10H14IN and molecular weight 275.02 g/mol. IUPAC: N,N-diethyl-4-iodoaniline.
Chemical Property Profile of N,N-Diethyl-4-iodoaniline
Property Insights of N,N-Diethyl-4-iodoaniline
The XLogP value of 3.8 indicates that N,N-Diethyl-4-iodoaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, N,N-Diethyl-4-iodoaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Diethyl-4-iodoaniline has 0 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 N,N-Diethyl-4-iodoaniline?
The CAS number of N,N-Diethyl-4-iodoaniline is 57702-49-5.
What is the molecular formula of N,N-Diethyl-4-iodoaniline?
The molecular formula of N,N-Diethyl-4-iodoaniline is C10H14IN.
What is the molecular weight of N,N-Diethyl-4-iodoaniline?
The molecular weight of N,N-Diethyl-4-iodoaniline is 275.02 g/mol.
Where can I buy N,N-Diethyl-4-iodoaniline?
You can request a quote for N,N-Diethyl-4-iodoaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Diethyl-4-iodoaniline?
Yes, KEHONG BIO provides custom synthesis services for N,N-Diethyl-4-iodoaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.