![N-[bis(2-chloroethyl)amino-phenoxyphosphoryl]-3-nitroaniline structure](/static/products/942/94252-92-3.png)
N-[bis(2-chloroethyl)amino-phenoxyphosphoryl]-3-nitroaniline
TL;DR: N-[bis(2-chloroethyl)amino-phenoxyphosphoryl]-3-nitroaniline (CAS 94252-92-3) is a chemical compound with molecular formula C16H18Cl2N3O4P and molecular weight 417.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[bis(2-chloroethyl)amino-phenoxyphosphoryl]-3-nitroaniline
Also Known As: N-[bis(2-chloroethyl)amino-phenoxyphosphoryl]-3-nitroaniline, Phenyl N,N-bis(2-chloroethyl)-N'-(3-nitrophenyl)phosphorodiamidate
| Molecular Formula | C16H18Cl2N3O4P |
|---|---|
| Molecular Weight | 417.04 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 87.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 417.0412 |
| Heavy Atoms | 26 |
| Complexity | 483.0 |
Chemical Identifiers
| CAS Number | 94252-92-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)OP(=O)(NC2=CC(=CC=C2)[N+](=O)[O-])N(CCCl)CCCl |
| InChIKey | JLZXXNVUPCZYPO-UHFFFAOYSA-N |
Product Overview
N-[bis(2-chloroethyl)amino-phenoxyphosphoryl]-3-nitroaniline (CAS 94252-92-3), with molecular formula C16H18Cl2N3O4P and molecular weight 417.04 g/mol. IUPAC: N-[bis(2-chloroethyl)amino-phenoxyphosphoryl]-3-nitroaniline.
Chemical Property Profile of N-[bis(2-chloroethyl)amino-phenoxyphosphoryl]-3-nitroaniline
Property Insights of N-[bis(2-chloroethyl)amino-phenoxyphosphoryl]-3-nitroaniline
The XLogP value of 4.4 indicates that N-[bis(2-chloroethyl)amino-phenoxyphosphoryl]-3-nitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[bis(2-chloroethyl)amino-phenoxyphosphoryl]-3-nitroaniline. Following Lipinski's Rule of Five, N-[bis(2-chloroethyl)amino-phenoxyphosphoryl]-3-nitroaniline has 1 hydrogen bond donor(s) and 6 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-[bis(2-chloroethyl)amino-phenoxyphosphoryl]-3-nitroaniline?
The CAS number of N-[bis(2-chloroethyl)amino-phenoxyphosphoryl]-3-nitroaniline is 94252-92-3.
What is the molecular formula of N-[bis(2-chloroethyl)amino-phenoxyphosphoryl]-3-nitroaniline?
The molecular formula of N-[bis(2-chloroethyl)amino-phenoxyphosphoryl]-3-nitroaniline is C16H18Cl2N3O4P.
What is the molecular weight of N-[bis(2-chloroethyl)amino-phenoxyphosphoryl]-3-nitroaniline?
The molecular weight of N-[bis(2-chloroethyl)amino-phenoxyphosphoryl]-3-nitroaniline is 417.04 g/mol.
Where can I buy N-[bis(2-chloroethyl)amino-phenoxyphosphoryl]-3-nitroaniline?
You can request a quote for N-[bis(2-chloroethyl)amino-phenoxyphosphoryl]-3-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[bis(2-chloroethyl)amino-phenoxyphosphoryl]-3-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-[bis(2-chloroethyl)amino-phenoxyphosphoryl]-3-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.