4-(Benzyloxy)-n,n-bis(2-chloroethyl)aniline
TL;DR: 4-(Benzyloxy)-n,n-bis(2-chloroethyl)aniline (CAS 17794-35-3) is a chemical compound with molecular formula C17H19Cl2NO and molecular weight 323.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-chloroethyl)-4-phenylmethoxyaniline
Also Known As: NCIOpen2_009271, 4-(benzyloxy)-n,n-bis(2-chloroethyl)aniline, N,N-bis(2-chloroethyl)-4-phenylmethoxyaniline, BENZENAMINE,N,N-BIS(2-CHLOROETHYL)-4-(PHENYLMETHOXY)-
| Molecular Formula | C17H19Cl2NO |
|---|---|
| Molecular Weight | 323.08 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 323.08438 |
| Heavy Atoms | 21 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 17794-35-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC=C(C=C2)N(CCCl)CCCl |
| InChIKey | AICZHGUHMDUPES-UHFFFAOYSA-N |
Product Overview
4-(Benzyloxy)-n,n-bis(2-chloroethyl)aniline (CAS 17794-35-3), with molecular formula C17H19Cl2NO and molecular weight 323.08 g/mol. IUPAC: N,N-bis(2-chloroethyl)-4-phenylmethoxyaniline.
Chemical Property Profile of 4-(Benzyloxy)-n,n-bis(2-chloroethyl)aniline
Property Insights of 4-(Benzyloxy)-n,n-bis(2-chloroethyl)aniline
The XLogP value of 4.7 indicates that 4-(Benzyloxy)-n,n-bis(2-chloroethyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, 4-(Benzyloxy)-n,n-bis(2-chloroethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Benzyloxy)-n,n-bis(2-chloroethyl)aniline 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 4-(Benzyloxy)-n,n-bis(2-chloroethyl)aniline?
The CAS number of 4-(Benzyloxy)-n,n-bis(2-chloroethyl)aniline is 17794-35-3.
What is the molecular formula of 4-(Benzyloxy)-n,n-bis(2-chloroethyl)aniline?
The molecular formula of 4-(Benzyloxy)-n,n-bis(2-chloroethyl)aniline is C17H19Cl2NO.
What is the molecular weight of 4-(Benzyloxy)-n,n-bis(2-chloroethyl)aniline?
The molecular weight of 4-(Benzyloxy)-n,n-bis(2-chloroethyl)aniline is 323.08 g/mol.
Where can I buy 4-(Benzyloxy)-n,n-bis(2-chloroethyl)aniline?
You can request a quote for 4-(Benzyloxy)-n,n-bis(2-chloroethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Benzyloxy)-n,n-bis(2-chloroethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-(Benzyloxy)-n,n-bis(2-chloroethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.