![4-bromo-N-[(4-prop-2-ynoxyphenyl)methyl]aniline structure](/static/products/722/722470-15-7.png)
4-bromo-N-[(4-prop-2-ynoxyphenyl)methyl]aniline
TL;DR: 4-bromo-N-[(4-prop-2-ynoxyphenyl)methyl]aniline (CAS 722470-15-7) is a chemical compound with molecular formula C16H14BrNO and molecular weight 315.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N-[(4-prop-2-ynoxyphenyl)methyl]aniline
Also Known As: 4-bromo-N-[(4-prop-2-ynoxyphenyl)methyl]aniline, N-(4-bromophenyl)-N-[4-(2-propynyloxy)benzyl]amine, 4-bromo-N-[4-(prop-2-yn-1-yloxy)benzyl]aniline, AH-487/42308633
| Molecular Formula | C16H14BrNO |
|---|---|
| Molecular Weight | 315.03 g/mol |
| LogP | 4.0732 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 315.02588 |
| Heavy Atoms | 19 |
| Complexity | 554.798 |
Chemical Identifiers
| CAS Number | 722470-15-7 |
|---|---|
| SMILES | C#CCOC1=CC=C(C=C1)CNC2=CC=C(C=C2)Br |
Product Overview
4-bromo-N-[(4-prop-2-ynoxyphenyl)methyl]aniline (CAS 722470-15-7), with molecular formula C16H14BrNO and molecular weight 315.03 g/mol. IUPAC: 4-bromo-N-[(4-prop-2-ynoxyphenyl)methyl]aniline.
Chemical Property Profile of 4-bromo-N-[(4-prop-2-ynoxyphenyl)methyl]aniline
Property Insights of 4-bromo-N-[(4-prop-2-ynoxyphenyl)methyl]aniline
The XLogP value of 4.0732 indicates that 4-bromo-N-[(4-prop-2-ynoxyphenyl)methyl]aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.26 Ų, 4-bromo-N-[(4-prop-2-ynoxyphenyl)methyl]aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-bromo-N-[(4-prop-2-ynoxyphenyl)methyl]aniline has 1 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 4-bromo-N-[(4-prop-2-ynoxyphenyl)methyl]aniline?
The CAS number of 4-bromo-N-[(4-prop-2-ynoxyphenyl)methyl]aniline is 722470-15-7.
What is the molecular formula of 4-bromo-N-[(4-prop-2-ynoxyphenyl)methyl]aniline?
The molecular formula of 4-bromo-N-[(4-prop-2-ynoxyphenyl)methyl]aniline is C16H14BrNO.
What is the molecular weight of 4-bromo-N-[(4-prop-2-ynoxyphenyl)methyl]aniline?
The molecular weight of 4-bromo-N-[(4-prop-2-ynoxyphenyl)methyl]aniline is 315.03 g/mol.
Where can I buy 4-bromo-N-[(4-prop-2-ynoxyphenyl)methyl]aniline?
You can request a quote for 4-bromo-N-[(4-prop-2-ynoxyphenyl)methyl]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-bromo-N-[(4-prop-2-ynoxyphenyl)methyl]aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-N-[(4-prop-2-ynoxyphenyl)methyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.