![4-chloro-N-[3-methoxy-4-(2-propynyloxy)benzyl]aniline structure](/static/products/722/722469-64-9.png)
4-chloro-N-[3-methoxy-4-(2-propynyloxy)benzyl]aniline
TL;DR: 4-chloro-N-[3-methoxy-4-(2-propynyloxy)benzyl]aniline (CAS 722469-64-9) is a chemical compound with molecular formula C17H16ClNO2 and molecular weight 301.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]aniline
Also Known As: 4-chloro-N-[3-methoxy-4-(2-propynyloxy)benzyl]aniline, AH-487/42191483, 4-chloro-N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]aniline, 4-chloro-N-[3-methoxy-4-(prop-2-yn-1-yloxy)benzyl]aniline
| Molecular Formula | C17H16ClNO2 |
|---|---|
| Molecular Weight | 301.09 g/mol |
| LogP | 3.9727 |
| Topological Polar Surface Area | 30.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 301.08694 |
| Heavy Atoms | 21 |
| Complexity | 632.22864 |
Chemical Identifiers
| CAS Number | 722469-64-9 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)CNC2=CC=C(C=C2)Cl)OCC#C |
Product Overview
4-chloro-N-[3-methoxy-4-(2-propynyloxy)benzyl]aniline (CAS 722469-64-9), with molecular formula C17H16ClNO2 and molecular weight 301.09 g/mol. IUPAC: 4-chloro-N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]aniline.
Chemical Property Profile of 4-chloro-N-[3-methoxy-4-(2-propynyloxy)benzyl]aniline
Property Insights of 4-chloro-N-[3-methoxy-4-(2-propynyloxy)benzyl]aniline
The XLogP value of 3.9727 indicates that 4-chloro-N-[3-methoxy-4-(2-propynyloxy)benzyl]aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.49 Ų, 4-chloro-N-[3-methoxy-4-(2-propynyloxy)benzyl]aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chloro-N-[3-methoxy-4-(2-propynyloxy)benzyl]aniline 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 4-chloro-N-[3-methoxy-4-(2-propynyloxy)benzyl]aniline?
The CAS number of 4-chloro-N-[3-methoxy-4-(2-propynyloxy)benzyl]aniline is 722469-64-9.
What is the molecular formula of 4-chloro-N-[3-methoxy-4-(2-propynyloxy)benzyl]aniline?
The molecular formula of 4-chloro-N-[3-methoxy-4-(2-propynyloxy)benzyl]aniline is C17H16ClNO2.
What is the molecular weight of 4-chloro-N-[3-methoxy-4-(2-propynyloxy)benzyl]aniline?
The molecular weight of 4-chloro-N-[3-methoxy-4-(2-propynyloxy)benzyl]aniline is 301.09 g/mol.
Where can I buy 4-chloro-N-[3-methoxy-4-(2-propynyloxy)benzyl]aniline?
You can request a quote for 4-chloro-N-[3-methoxy-4-(2-propynyloxy)benzyl]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-N-[3-methoxy-4-(2-propynyloxy)benzyl]aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-[3-methoxy-4-(2-propynyloxy)benzyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.