N,N-bis(2-chloroethyl)-3,5-bis(phenylmethoxy)aniline
TL;DR: N,N-bis(2-chloroethyl)-3,5-bis(phenylmethoxy)aniline (CAS 54845-12-4) is a chemical compound with molecular formula C24H25Cl2NO2 and molecular weight 429.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-chloroethyl)-3,5-bis(phenylmethoxy)aniline
Also Known As: N,N-bis(2-chloroethyl)-3,5-bis(phenylmethoxy)aniline, 3,5-Bis(benzyloxy)-N,N-bis(2-chloroethyl)aniline, RefChem:358754
| Molecular Formula | C24H25Cl2NO2 |
|---|---|
| Molecular Weight | 429.13 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 21.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 429.12622 |
| Heavy Atoms | 29 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 54845-12-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC(=CC(=C2)N(CCCl)CCCl)OCC3=CC=CC=C3 |
| InChIKey | PBDYGXXKARCUJJ-UHFFFAOYSA-N |
Product Overview
N,N-bis(2-chloroethyl)-3,5-bis(phenylmethoxy)aniline (CAS 54845-12-4), with molecular formula C24H25Cl2NO2 and molecular weight 429.13 g/mol. IUPAC: N,N-bis(2-chloroethyl)-3,5-bis(phenylmethoxy)aniline.
Chemical Property Profile of N,N-bis(2-chloroethyl)-3,5-bis(phenylmethoxy)aniline
Property Insights of N,N-bis(2-chloroethyl)-3,5-bis(phenylmethoxy)aniline
The XLogP value of 6.2 indicates that N,N-bis(2-chloroethyl)-3,5-bis(phenylmethoxy)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.7 Ų, N,N-bis(2-chloroethyl)-3,5-bis(phenylmethoxy)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-bis(2-chloroethyl)-3,5-bis(phenylmethoxy)aniline has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N,N-bis(2-chloroethyl)-3,5-bis(phenylmethoxy)aniline?
The CAS number of N,N-bis(2-chloroethyl)-3,5-bis(phenylmethoxy)aniline is 54845-12-4.
What is the molecular formula of N,N-bis(2-chloroethyl)-3,5-bis(phenylmethoxy)aniline?
The molecular formula of N,N-bis(2-chloroethyl)-3,5-bis(phenylmethoxy)aniline is C24H25Cl2NO2.
What is the molecular weight of N,N-bis(2-chloroethyl)-3,5-bis(phenylmethoxy)aniline?
The molecular weight of N,N-bis(2-chloroethyl)-3,5-bis(phenylmethoxy)aniline is 429.13 g/mol.
Where can I buy N,N-bis(2-chloroethyl)-3,5-bis(phenylmethoxy)aniline?
You can request a quote for N,N-bis(2-chloroethyl)-3,5-bis(phenylmethoxy)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-bis(2-chloroethyl)-3,5-bis(phenylmethoxy)aniline?
Yes, KEHONG BIO provides custom synthesis services for N,N-bis(2-chloroethyl)-3,5-bis(phenylmethoxy)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.