![n,n-bis(2-chloroethyl)-4-{(e)-[(4-fluoro-2-nitrophenyl)imino]methyl}-3-methylaniline structure](/static/products/2784/27845-89-2.webp)
n,n-bis(2-chloroethyl)-4-{(e)-[(4-fluoro-2-nitrophenyl)imino]methyl}-3-methylaniline
TL;DR: n,n-bis(2-chloroethyl)-4-{(e)-[(4-fluoro-2-nitrophenyl)imino]methyl}-3-methylaniline (CAS 27845-89-2) is a chemical compound with molecular formula C18H18Cl2FN3O2 and molecular weight 397.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-chloroethyl)-4-[(4-fluoro-2-nitrophenyl)iminomethyl]-3-methylaniline
Also Known As: n,n-bis(2-chloroethyl)-4-{(e)-[(4-fluoro-2-nitrophenyl)imino]methyl}-3-methylaniline, N,N-bis(2-chloroethyl)-4-[(4-fluoro-2-nitrophenyl)iminomethy, N,N-bis(2-chloroethyl)-4-[(4-fluoro-2-nitrophenyl)iminomethyl]-3-methylaniline, BENZENAMINE,N,N-BIS(2-CHLOROETHYL)-4-[[(4-FLUORO-2-NITROPHENYL)IMINO]METHYL]-3-METHYL-
| Molecular Formula | C18H18Cl2FN3O2 |
|---|---|
| Molecular Weight | 397.08 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 61.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 397.07602 |
| Heavy Atoms | 26 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 27845-89-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N(CCCl)CCCl)C=NC2=C(C=C(C=C2)F)[N+](=O)[O-] |
| InChIKey | YZKRFSNQAWACCF-UHFFFAOYSA-N |
Product Overview
n,n-bis(2-chloroethyl)-4-{(e)-[(4-fluoro-2-nitrophenyl)imino]methyl}-3-methylaniline (CAS 27845-89-2), with molecular formula C18H18Cl2FN3O2 and molecular weight 397.08 g/mol. IUPAC: N,N-bis(2-chloroethyl)-4-[(4-fluoro-2-nitrophenyl)iminomethyl]-3-methylaniline.
Chemical Property Profile of n,n-bis(2-chloroethyl)-4-{(e)-[(4-fluoro-2-nitrophenyl)imino]methyl}-3-methylaniline
Property Insights of n,n-bis(2-chloroethyl)-4-{(e)-[(4-fluoro-2-nitrophenyl)imino]methyl}-3-methylaniline
The XLogP value of 4.8 indicates that n,n-bis(2-chloroethyl)-4-{(e)-[(4-fluoro-2-nitrophenyl)imino]methyl}-3-methylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for n,n-bis(2-chloroethyl)-4-{(e)-[(4-fluoro-2-nitrophenyl)imino]methyl}-3-methylaniline. Following Lipinski's Rule of Five, n,n-bis(2-chloroethyl)-4-{(e)-[(4-fluoro-2-nitrophenyl)imino]methyl}-3-methylaniline has 0 hydrogen bond donor(s) and 5 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)-4-{(e)-[(4-fluoro-2-nitrophenyl)imino]methyl}-3-methylaniline?
The CAS number of n,n-bis(2-chloroethyl)-4-{(e)-[(4-fluoro-2-nitrophenyl)imino]methyl}-3-methylaniline is 27845-89-2.
What is the molecular formula of n,n-bis(2-chloroethyl)-4-{(e)-[(4-fluoro-2-nitrophenyl)imino]methyl}-3-methylaniline?
The molecular formula of n,n-bis(2-chloroethyl)-4-{(e)-[(4-fluoro-2-nitrophenyl)imino]methyl}-3-methylaniline is C18H18Cl2FN3O2.
What is the molecular weight of n,n-bis(2-chloroethyl)-4-{(e)-[(4-fluoro-2-nitrophenyl)imino]methyl}-3-methylaniline?
The molecular weight of n,n-bis(2-chloroethyl)-4-{(e)-[(4-fluoro-2-nitrophenyl)imino]methyl}-3-methylaniline is 397.08 g/mol.
Where can I buy n,n-bis(2-chloroethyl)-4-{(e)-[(4-fluoro-2-nitrophenyl)imino]methyl}-3-methylaniline?
You can request a quote for n,n-bis(2-chloroethyl)-4-{(e)-[(4-fluoro-2-nitrophenyl)imino]methyl}-3-methylaniline 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)-4-{(e)-[(4-fluoro-2-nitrophenyl)imino]methyl}-3-methylaniline?
Yes, KEHONG BIO provides custom synthesis services for n,n-bis(2-chloroethyl)-4-{(e)-[(4-fluoro-2-nitrophenyl)imino]methyl}-3-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.