N,N-Bis(2-chloroethyl)-3-methyl-4-nitrosoaniline
TL;DR: N,N-Bis(2-chloroethyl)-3-methyl-4-nitrosoaniline (CAS 5520-25-2) is a chemical compound with molecular formula C11H14Cl2N2O and molecular weight 260.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-chloroethyl)-3-methyl-4-nitrosoaniline
Also Known As: N,N-Bis(2-chloroethyl)-3-methyl-4-nitrosoaniline, N,N-bis(2-chloroethyl)-3-methyl-4-nitroso-aniline, N,N-Bis(2-chloroethyl)-N-(3-methyl-4-nitrosophenyl)amine, 667-290-4, RefChem:822128
| Molecular Formula | C11H14Cl2N2O |
|---|---|
| Molecular Weight | 260.05 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 260.0483 |
| Heavy Atoms | 16 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 5520-25-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N(CCCl)CCCl)N=O |
| InChIKey | JGHUXJOHWMMZFC-UHFFFAOYSA-N |
Product Overview
N,N-Bis(2-chloroethyl)-3-methyl-4-nitrosoaniline (CAS 5520-25-2), with molecular formula C11H14Cl2N2O and molecular weight 260.05 g/mol. IUPAC: N,N-bis(2-chloroethyl)-3-methyl-4-nitrosoaniline.
Chemical Property Profile of N,N-Bis(2-chloroethyl)-3-methyl-4-nitrosoaniline
Property Insights of N,N-Bis(2-chloroethyl)-3-methyl-4-nitrosoaniline
The XLogP value of 3.0 indicates that N,N-Bis(2-chloroethyl)-3-methyl-4-nitrosoaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.7 Ų, N,N-Bis(2-chloroethyl)-3-methyl-4-nitrosoaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Bis(2-chloroethyl)-3-methyl-4-nitrosoaniline has 0 hydrogen bond donor(s) and 3 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)-3-methyl-4-nitrosoaniline?
The CAS number of N,N-Bis(2-chloroethyl)-3-methyl-4-nitrosoaniline is 5520-25-2.
What is the molecular formula of N,N-Bis(2-chloroethyl)-3-methyl-4-nitrosoaniline?
The molecular formula of N,N-Bis(2-chloroethyl)-3-methyl-4-nitrosoaniline is C11H14Cl2N2O.
What is the molecular weight of N,N-Bis(2-chloroethyl)-3-methyl-4-nitrosoaniline?
The molecular weight of N,N-Bis(2-chloroethyl)-3-methyl-4-nitrosoaniline is 260.05 g/mol.
Where can I buy N,N-Bis(2-chloroethyl)-3-methyl-4-nitrosoaniline?
You can request a quote for N,N-Bis(2-chloroethyl)-3-methyl-4-nitrosoaniline 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-methyl-4-nitrosoaniline?
Yes, KEHONG BIO provides custom synthesis services for N,N-Bis(2-chloroethyl)-3-methyl-4-nitrosoaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.