n,n-Bis(2-chloroethyl)-2,4,5-trimethoxyaniline
TL;DR: n,n-Bis(2-chloroethyl)-2,4,5-trimethoxyaniline (CAS 3275-58-9) is a chemical compound with molecular formula C13H19Cl2NO3 and molecular weight 307.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-chloroethyl)-2,4,5-trimethoxyaniline
Also Known As: n,n-bis(2-chloroethyl)-2,4,5-trimethoxyaniline, BENZENAMINE,N,N-BIS(2-CHLOROETHYL)-2,4,5-TRIMETHOXY-
| Molecular Formula | C13H19Cl2NO3 |
|---|---|
| Molecular Weight | 307.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 30.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 307.0742 |
| Heavy Atoms | 19 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 3275-58-9 |
|---|---|
| SMILES | COC1=CC(=C(C=C1N(CCCl)CCCl)OC)OC |
| InChIKey | YSVCPMOLCICSJR-UHFFFAOYSA-N |
Product Overview
n,n-Bis(2-chloroethyl)-2,4,5-trimethoxyaniline (CAS 3275-58-9), with molecular formula C13H19Cl2NO3 and molecular weight 307.07 g/mol. IUPAC: N,N-bis(2-chloroethyl)-2,4,5-trimethoxyaniline.
Chemical Property Profile of n,n-Bis(2-chloroethyl)-2,4,5-trimethoxyaniline
Property Insights of n,n-Bis(2-chloroethyl)-2,4,5-trimethoxyaniline
The XLogP value of 3.1 indicates that n,n-Bis(2-chloroethyl)-2,4,5-trimethoxyaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.9 Ų, n,n-Bis(2-chloroethyl)-2,4,5-trimethoxyaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n,n-Bis(2-chloroethyl)-2,4,5-trimethoxyaniline has 0 hydrogen bond donor(s) and 4 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 n,n-Bis(2-chloroethyl)-2,4,5-trimethoxyaniline?
The CAS number of n,n-Bis(2-chloroethyl)-2,4,5-trimethoxyaniline is 3275-58-9.
What is the molecular formula of n,n-Bis(2-chloroethyl)-2,4,5-trimethoxyaniline?
The molecular formula of n,n-Bis(2-chloroethyl)-2,4,5-trimethoxyaniline is C13H19Cl2NO3.
What is the molecular weight of n,n-Bis(2-chloroethyl)-2,4,5-trimethoxyaniline?
The molecular weight of n,n-Bis(2-chloroethyl)-2,4,5-trimethoxyaniline is 307.07 g/mol.
Where can I buy n,n-Bis(2-chloroethyl)-2,4,5-trimethoxyaniline?
You can request a quote for n,n-Bis(2-chloroethyl)-2,4,5-trimethoxyaniline 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)-2,4,5-trimethoxyaniline?
Yes, KEHONG BIO provides custom synthesis services for n,n-Bis(2-chloroethyl)-2,4,5-trimethoxyaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.