Benzylamine, 5-bromo-N,N-bis(2-chloroethyl)-2-ethoxy-
TL;DR: Benzylamine, 5-bromo-N,N-bis(2-chloroethyl)-2-ethoxy- (CAS 17035-95-9) is a chemical compound with molecular formula C13H18BrCl2NO and molecular weight 352.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5-bromo-2-ethoxyphenyl)methyl]-2-chloro-N-(2-chloroethyl)ethanamine
Also Known As: Benzylamine, 5-bromo-N,N-bis(2-chloroethyl)-2-ethoxy-, 5-Bromo-N,N-bis(2-chloroethyl)-2-ethoxybenzylamine, Benzenemethanamine, 5-bromo-N,N-bis(2-chloroethyl)-2-ethoxy-, N-[(5-bromo-2-ethoxyphenyl)methyl]-2-chloro-N-(2-chloroethyl)ethanamine, N-[(5-Bromo-2-ethoxyphenyl)methyl]-2-chloro-N-(2-chloroethyl)ethan-1-amine
| Molecular Formula | C13H18BrCl2NO |
|---|---|
| Molecular Weight | 352.99 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 352.99487 |
| Heavy Atoms | 18 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 17035-95-9 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)Br)CN(CCCl)CCCl |
| InChIKey | NWJXPAURJYBKMG-UHFFFAOYSA-N |
Product Overview
Benzylamine, 5-bromo-N,N-bis(2-chloroethyl)-2-ethoxy- (CAS 17035-95-9), with molecular formula C13H18BrCl2NO and molecular weight 352.99 g/mol. IUPAC: N-[(5-bromo-2-ethoxyphenyl)methyl]-2-chloro-N-(2-chloroethyl)ethanamine.
Chemical Property Profile of Benzylamine, 5-bromo-N,N-bis(2-chloroethyl)-2-ethoxy-
Property Insights of Benzylamine, 5-bromo-N,N-bis(2-chloroethyl)-2-ethoxy-
The XLogP value of 4.0 indicates that Benzylamine, 5-bromo-N,N-bis(2-chloroethyl)-2-ethoxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, Benzylamine, 5-bromo-N,N-bis(2-chloroethyl)-2-ethoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzylamine, 5-bromo-N,N-bis(2-chloroethyl)-2-ethoxy- has 0 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 Benzylamine, 5-bromo-N,N-bis(2-chloroethyl)-2-ethoxy-?
The CAS number of Benzylamine, 5-bromo-N,N-bis(2-chloroethyl)-2-ethoxy- is 17035-95-9.
What is the molecular formula of Benzylamine, 5-bromo-N,N-bis(2-chloroethyl)-2-ethoxy-?
The molecular formula of Benzylamine, 5-bromo-N,N-bis(2-chloroethyl)-2-ethoxy- is C13H18BrCl2NO.
What is the molecular weight of Benzylamine, 5-bromo-N,N-bis(2-chloroethyl)-2-ethoxy-?
The molecular weight of Benzylamine, 5-bromo-N,N-bis(2-chloroethyl)-2-ethoxy- is 352.99 g/mol.
Where can I buy Benzylamine, 5-bromo-N,N-bis(2-chloroethyl)-2-ethoxy-?
You can request a quote for Benzylamine, 5-bromo-N,N-bis(2-chloroethyl)-2-ethoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzylamine, 5-bromo-N,N-bis(2-chloroethyl)-2-ethoxy-?
Yes, KEHONG BIO provides custom synthesis services for Benzylamine, 5-bromo-N,N-bis(2-chloroethyl)-2-ethoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.