N-benzyl-3-(2-bromo-4-chlorophenoxy)propan-1-amine
TL;DR: N-benzyl-3-(2-bromo-4-chlorophenoxy)propan-1-amine (CAS 4441-77-4) is a chemical compound with molecular formula C16H17BrClNO and molecular weight 353.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-3-(2-bromo-4-chlorophenoxy)propan-1-amine
Also Known As: N-benzyl-3-(2-bromo-4-chlorophenoxy)propan-1-amine, N-benzyl-3-(2-bromo-4-chloro-phenoxy)propan-1-amine
| Molecular Formula | C16H17BrClNO |
|---|---|
| Molecular Weight | 353.02 g/mol |
| LogP | 4.6612 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 353.0182 |
| Heavy Atoms | 20 |
| Complexity | 533.255 |
Chemical Identifiers
| CAS Number | 4441-77-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNCCCOC2=C(C=C(C=C2)Cl)Br |
Product Overview
N-benzyl-3-(2-bromo-4-chlorophenoxy)propan-1-amine (CAS 4441-77-4), with molecular formula C16H17BrClNO and molecular weight 353.02 g/mol. IUPAC: N-benzyl-3-(2-bromo-4-chlorophenoxy)propan-1-amine.
Chemical Property Profile of N-benzyl-3-(2-bromo-4-chlorophenoxy)propan-1-amine
Property Insights of N-benzyl-3-(2-bromo-4-chlorophenoxy)propan-1-amine
The XLogP value of 4.6612 indicates that N-benzyl-3-(2-bromo-4-chlorophenoxy)propan-1-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.26 Ų, N-benzyl-3-(2-bromo-4-chlorophenoxy)propan-1-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-3-(2-bromo-4-chlorophenoxy)propan-1-amine 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 N-benzyl-3-(2-bromo-4-chlorophenoxy)propan-1-amine?
The CAS number of N-benzyl-3-(2-bromo-4-chlorophenoxy)propan-1-amine is 4441-77-4.
What is the molecular formula of N-benzyl-3-(2-bromo-4-chlorophenoxy)propan-1-amine?
The molecular formula of N-benzyl-3-(2-bromo-4-chlorophenoxy)propan-1-amine is C16H17BrClNO.
What is the molecular weight of N-benzyl-3-(2-bromo-4-chlorophenoxy)propan-1-amine?
The molecular weight of N-benzyl-3-(2-bromo-4-chlorophenoxy)propan-1-amine is 353.02 g/mol.
Where can I buy N-benzyl-3-(2-bromo-4-chlorophenoxy)propan-1-amine?
You can request a quote for N-benzyl-3-(2-bromo-4-chlorophenoxy)propan-1-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-3-(2-bromo-4-chlorophenoxy)propan-1-amine?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-3-(2-bromo-4-chlorophenoxy)propan-1-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.