![N-[3-bromo-5-ethoxy-4-(prop-2-yn-1-yloxy)benzyl]-5-chloro-2-methylaniline structure](/static/products/5548/5548-31-2.webp)
N-[3-bromo-5-ethoxy-4-(prop-2-yn-1-yloxy)benzyl]-5-chloro-2-methylaniline
TL;DR: N-[3-bromo-5-ethoxy-4-(prop-2-yn-1-yloxy)benzyl]-5-chloro-2-methylaniline (CAS 5548-31-2) is a chemical compound with molecular formula C19H19BrClNO2 and molecular weight 407.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methyl]-5-chloro-2-methylaniline
Also Known As: N-[3-bromo-5-ethoxy-4-(prop-2-yn-1-yloxy)benzyl]-5-chloro-2-methylaniline, N-({3-Bromo-5-ethoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}methyl)-5-chloro-2-methylaniline, N-[(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methyl]-5-chloro-2-methylaniline
| Molecular Formula | C19H19BrClNO2 |
|---|---|
| Molecular Weight | 407.03 g/mol |
| LogP | 5.43372 |
| Topological Polar Surface Area | 30.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 407.02878 |
| Heavy Atoms | 24 |
| Complexity | 755.7625 |
Chemical Identifiers
| CAS Number | 5548-31-2 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)CNC2=C(C=CC(=C2)Cl)C)Br)OCC#C |
Product Overview
N-[3-bromo-5-ethoxy-4-(prop-2-yn-1-yloxy)benzyl]-5-chloro-2-methylaniline (CAS 5548-31-2), with molecular formula C19H19BrClNO2 and molecular weight 407.03 g/mol. IUPAC: N-[(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methyl]-5-chloro-2-methylaniline.
Chemical Property Profile of N-[3-bromo-5-ethoxy-4-(prop-2-yn-1-yloxy)benzyl]-5-chloro-2-methylaniline
Property Insights of N-[3-bromo-5-ethoxy-4-(prop-2-yn-1-yloxy)benzyl]-5-chloro-2-methylaniline
The XLogP value of 5.43372 indicates that N-[3-bromo-5-ethoxy-4-(prop-2-yn-1-yloxy)benzyl]-5-chloro-2-methylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.49 Ų, N-[3-bromo-5-ethoxy-4-(prop-2-yn-1-yloxy)benzyl]-5-chloro-2-methylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[3-bromo-5-ethoxy-4-(prop-2-yn-1-yloxy)benzyl]-5-chloro-2-methylaniline has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[3-bromo-5-ethoxy-4-(prop-2-yn-1-yloxy)benzyl]-5-chloro-2-methylaniline?
The CAS number of N-[3-bromo-5-ethoxy-4-(prop-2-yn-1-yloxy)benzyl]-5-chloro-2-methylaniline is 5548-31-2.
What is the molecular formula of N-[3-bromo-5-ethoxy-4-(prop-2-yn-1-yloxy)benzyl]-5-chloro-2-methylaniline?
The molecular formula of N-[3-bromo-5-ethoxy-4-(prop-2-yn-1-yloxy)benzyl]-5-chloro-2-methylaniline is C19H19BrClNO2.
What is the molecular weight of N-[3-bromo-5-ethoxy-4-(prop-2-yn-1-yloxy)benzyl]-5-chloro-2-methylaniline?
The molecular weight of N-[3-bromo-5-ethoxy-4-(prop-2-yn-1-yloxy)benzyl]-5-chloro-2-methylaniline is 407.03 g/mol.
Where can I buy N-[3-bromo-5-ethoxy-4-(prop-2-yn-1-yloxy)benzyl]-5-chloro-2-methylaniline?
You can request a quote for N-[3-bromo-5-ethoxy-4-(prop-2-yn-1-yloxy)benzyl]-5-chloro-2-methylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[3-bromo-5-ethoxy-4-(prop-2-yn-1-yloxy)benzyl]-5-chloro-2-methylaniline?
Yes, KEHONG BIO provides custom synthesis services for N-[3-bromo-5-ethoxy-4-(prop-2-yn-1-yloxy)benzyl]-5-chloro-2-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.