![(3-Bromo-4-methoxybenzyl)[2-(4-chlorophenyl)ethyl]amine structure](/static/products/4187/418772-33-5.webp)
(3-Bromo-4-methoxybenzyl)[2-(4-chlorophenyl)ethyl]amine
TL;DR: (3-Bromo-4-methoxybenzyl)[2-(4-chlorophenyl)ethyl]amine (CAS 418772-33-5) 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-[(3-bromo-4-methoxyphenyl)methyl]-2-(4-chlorophenyl)ethanamine
Also Known As: 5-methylthioisatin, CHEMBRDG-BB 5531840, CHEMBRDG-BB5531840, (3-BROMO-4-METHOXYBENZYL)[2-(4-CHLOROPHENYL)ETHYL]AMINE, W-7936
| Molecular Formula | C16H17BrClNO |
|---|---|
| Molecular Weight | 353.02 g/mol |
| LogP | 4.4434 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 353.0182 |
| Heavy Atoms | 20 |
| Complexity | 556.9034 |
Chemical Identifiers
| CAS Number | 418772-33-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CNCCC2=CC=C(C=C2)Cl)Br |
Product Overview
(3-Bromo-4-methoxybenzyl)[2-(4-chlorophenyl)ethyl]amine (CAS 418772-33-5), with molecular formula C16H17BrClNO and molecular weight 353.02 g/mol. IUPAC: N-[(3-bromo-4-methoxyphenyl)methyl]-2-(4-chlorophenyl)ethanamine.
Chemical Property Profile of (3-Bromo-4-methoxybenzyl)[2-(4-chlorophenyl)ethyl]amine
Property Insights of (3-Bromo-4-methoxybenzyl)[2-(4-chlorophenyl)ethyl]amine
The XLogP value of 4.4434 indicates that (3-Bromo-4-methoxybenzyl)[2-(4-chlorophenyl)ethyl]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, (3-Bromo-4-methoxybenzyl)[2-(4-chlorophenyl)ethyl]amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Bromo-4-methoxybenzyl)[2-(4-chlorophenyl)ethyl]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 (3-Bromo-4-methoxybenzyl)[2-(4-chlorophenyl)ethyl]amine?
The CAS number of (3-Bromo-4-methoxybenzyl)[2-(4-chlorophenyl)ethyl]amine is 418772-33-5.
What is the molecular formula of (3-Bromo-4-methoxybenzyl)[2-(4-chlorophenyl)ethyl]amine?
The molecular formula of (3-Bromo-4-methoxybenzyl)[2-(4-chlorophenyl)ethyl]amine is C16H17BrClNO.
What is the molecular weight of (3-Bromo-4-methoxybenzyl)[2-(4-chlorophenyl)ethyl]amine?
The molecular weight of (3-Bromo-4-methoxybenzyl)[2-(4-chlorophenyl)ethyl]amine is 353.02 g/mol.
Where can I buy (3-Bromo-4-methoxybenzyl)[2-(4-chlorophenyl)ethyl]amine?
You can request a quote for (3-Bromo-4-methoxybenzyl)[2-(4-chlorophenyl)ethyl]amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Bromo-4-methoxybenzyl)[2-(4-chlorophenyl)ethyl]amine?
Yes, KEHONG BIO provides custom synthesis services for (3-Bromo-4-methoxybenzyl)[2-(4-chlorophenyl)ethyl]amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.