Benzenemethanaminium, N,N-bis(2-chloroethyl)-N-ethyl-, bromide
TL;DR: Benzenemethanaminium, N,N-bis(2-chloroethyl)-N-ethyl-, bromide (CAS 503178-50-5) is a chemical compound with molecular formula C13H20BrCl2N and molecular weight 339.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-bis(2-chloroethyl)-ethylazanium bromide
Also Known As: Benzenemethanaminium, N,N-bis(2-chloroethyl)-N-ethyl-, bromide, Benzyl-bis(2-chloroethyl)-ethyl-azanium Bromide, N-Benzyl-2-chloro-N-(2-chloroethyl)-N-ethylethan-1-aminium bromide
| Molecular Formula | C13H20BrCl2N |
|---|---|
| Molecular Weight | 339.02 g/mol |
| LogP | 0.5049 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 7 |
| Exact Mass | 339.01562 |
| Heavy Atoms | 17 |
| Complexity | 286.73074 |
Chemical Identifiers
| CAS Number | 503178-50-5 |
|---|---|
| SMILES | CC[N+](CCCl)(CCCl)CC1=CC=CC=C1.[Br-] |
Product Overview
Benzenemethanaminium, N,N-bis(2-chloroethyl)-N-ethyl-, bromide (CAS 503178-50-5), with molecular formula C13H20BrCl2N and molecular weight 339.02 g/mol. IUPAC: benzyl-bis(2-chloroethyl)-ethylazanium bromide.
Chemical Property Profile of Benzenemethanaminium, N,N-bis(2-chloroethyl)-N-ethyl-, bromide
Property Insights of Benzenemethanaminium, N,N-bis(2-chloroethyl)-N-ethyl-, bromide
The XLogP value of 0.5049 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenemethanaminium, N,N-bis(2-chloroethyl)-N-ethyl-, bromide. With a topological polar surface area (TPSA) of 0.0 Ų, Benzenemethanaminium, N,N-bis(2-chloroethyl)-N-ethyl-, bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenemethanaminium, N,N-bis(2-chloroethyl)-N-ethyl-, bromide has 0 hydrogen bond donor(s) and 0 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 Benzenemethanaminium, N,N-bis(2-chloroethyl)-N-ethyl-, bromide?
The CAS number of Benzenemethanaminium, N,N-bis(2-chloroethyl)-N-ethyl-, bromide is 503178-50-5.
What is the molecular formula of Benzenemethanaminium, N,N-bis(2-chloroethyl)-N-ethyl-, bromide?
The molecular formula of Benzenemethanaminium, N,N-bis(2-chloroethyl)-N-ethyl-, bromide is C13H20BrCl2N.
What is the molecular weight of Benzenemethanaminium, N,N-bis(2-chloroethyl)-N-ethyl-, bromide?
The molecular weight of Benzenemethanaminium, N,N-bis(2-chloroethyl)-N-ethyl-, bromide is 339.02 g/mol.
Where can I buy Benzenemethanaminium, N,N-bis(2-chloroethyl)-N-ethyl-, bromide?
You can request a quote for Benzenemethanaminium, N,N-bis(2-chloroethyl)-N-ethyl-, bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanaminium, N,N-bis(2-chloroethyl)-N-ethyl-, bromide?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanaminium, N,N-bis(2-chloroethyl)-N-ethyl-, bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.