Bis-(2-chloroethyl)-(2-phenoxyethyl)amine
TL;DR: Bis-(2-chloroethyl)-(2-phenoxyethyl)amine (CAS 114331-45-2) is a chemical compound with molecular formula C12H17Cl2NO and molecular weight 261.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-chloroethyl)-2-phenoxyethanamine
Also Known As: bis-(2-chloro-ethyl)-(2-phenoxy-ethyl)-amine, bis-(2-chloroethyl)-(2-phenoxyethyl)amine, N,N-bis(2-chloroethyl)-2-phenoxyethanamine, N,N-bis(2-chloroethyl)-2-phenoxy-ethanamine
| Molecular Formula | C12H17Cl2NO |
|---|---|
| Molecular Weight | 261.07 g/mol |
| LogP | 2.845 |
| Topological Polar Surface Area | 12.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 261.06873 |
| Heavy Atoms | 16 |
| Complexity | 262.98108 |
Chemical Identifiers
| CAS Number | 114331-45-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCCN(CCCl)CCCl |
Product Overview
Bis-(2-chloroethyl)-(2-phenoxyethyl)amine (CAS 114331-45-2), with molecular formula C12H17Cl2NO and molecular weight 261.07 g/mol. IUPAC: N,N-bis(2-chloroethyl)-2-phenoxyethanamine.
Chemical Property Profile of Bis-(2-chloroethyl)-(2-phenoxyethyl)amine
Property Insights of Bis-(2-chloroethyl)-(2-phenoxyethyl)amine
The XLogP value of 2.845 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis-(2-chloroethyl)-(2-phenoxyethyl)amine. With a topological polar surface area (TPSA) of 12.47 Ų, Bis-(2-chloroethyl)-(2-phenoxyethyl)amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis-(2-chloroethyl)-(2-phenoxyethyl)amine 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 Bis-(2-chloroethyl)-(2-phenoxyethyl)amine?
The CAS number of Bis-(2-chloroethyl)-(2-phenoxyethyl)amine is 114331-45-2.
What is the molecular formula of Bis-(2-chloroethyl)-(2-phenoxyethyl)amine?
The molecular formula of Bis-(2-chloroethyl)-(2-phenoxyethyl)amine is C12H17Cl2NO.
What is the molecular weight of Bis-(2-chloroethyl)-(2-phenoxyethyl)amine?
The molecular weight of Bis-(2-chloroethyl)-(2-phenoxyethyl)amine is 261.07 g/mol.
Where can I buy Bis-(2-chloroethyl)-(2-phenoxyethyl)amine?
You can request a quote for Bis-(2-chloroethyl)-(2-phenoxyethyl)amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis-(2-chloroethyl)-(2-phenoxyethyl)amine?
Yes, KEHONG BIO provides custom synthesis services for Bis-(2-chloroethyl)-(2-phenoxyethyl)amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.