![N-[4-(4-Chloro-3-methylphenoxy)but-2-yn-1-yl]-N-methylaniline structure](/static/products/5418/54185-93-2.webp)
N-[4-(4-Chloro-3-methylphenoxy)but-2-yn-1-yl]-N-methylaniline
TL;DR: N-[4-(4-Chloro-3-methylphenoxy)but-2-yn-1-yl]-N-methylaniline (CAS 54185-93-2) is a chemical compound with molecular formula C18H18ClNO and molecular weight 299.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(4-chloro-3-methylphenoxy)but-2-ynyl]-N-methylaniline
Also Known As: N-[4-(4-chloro-3-methylphenoxy)but-2-ynyl]-N-methylaniline, N-[4-(4-Chloro-3-methylphenoxy)but-2-yn-1-yl]-N-methylaniline
| Molecular Formula | C18H18ClNO |
|---|---|
| Molecular Weight | 299.11 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.1077 |
| Heavy Atoms | 21 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 54185-93-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OCC#CCN(C)C2=CC=CC=C2)Cl |
| InChIKey | SIZYFCYBMARMHG-UHFFFAOYSA-N |
Product Overview
N-[4-(4-Chloro-3-methylphenoxy)but-2-yn-1-yl]-N-methylaniline (CAS 54185-93-2), with molecular formula C18H18ClNO and molecular weight 299.11 g/mol. IUPAC: N-[4-(4-chloro-3-methylphenoxy)but-2-ynyl]-N-methylaniline.
Chemical Property Profile of N-[4-(4-Chloro-3-methylphenoxy)but-2-yn-1-yl]-N-methylaniline
Property Insights of N-[4-(4-Chloro-3-methylphenoxy)but-2-yn-1-yl]-N-methylaniline
The XLogP value of 4.8 indicates that N-[4-(4-Chloro-3-methylphenoxy)but-2-yn-1-yl]-N-methylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, N-[4-(4-Chloro-3-methylphenoxy)but-2-yn-1-yl]-N-methylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[4-(4-Chloro-3-methylphenoxy)but-2-yn-1-yl]-N-methylaniline has 0 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 N-[4-(4-Chloro-3-methylphenoxy)but-2-yn-1-yl]-N-methylaniline?
The CAS number of N-[4-(4-Chloro-3-methylphenoxy)but-2-yn-1-yl]-N-methylaniline is 54185-93-2.
What is the molecular formula of N-[4-(4-Chloro-3-methylphenoxy)but-2-yn-1-yl]-N-methylaniline?
The molecular formula of N-[4-(4-Chloro-3-methylphenoxy)but-2-yn-1-yl]-N-methylaniline is C18H18ClNO.
What is the molecular weight of N-[4-(4-Chloro-3-methylphenoxy)but-2-yn-1-yl]-N-methylaniline?
The molecular weight of N-[4-(4-Chloro-3-methylphenoxy)but-2-yn-1-yl]-N-methylaniline is 299.11 g/mol.
Where can I buy N-[4-(4-Chloro-3-methylphenoxy)but-2-yn-1-yl]-N-methylaniline?
You can request a quote for N-[4-(4-Chloro-3-methylphenoxy)but-2-yn-1-yl]-N-methylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[4-(4-Chloro-3-methylphenoxy)but-2-yn-1-yl]-N-methylaniline?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(4-Chloro-3-methylphenoxy)but-2-yn-1-yl]-N-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.