N,N-Bis(2-chloroethyl)-N-methyl-4-nitrobenzenemethanaminium
TL;DR: N,N-Bis(2-chloroethyl)-N-methyl-4-nitrobenzenemethanaminium (CAS 19573-24-1) is a chemical compound with molecular formula C12H17Cl2N2O2+ and molecular weight 291.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-chloroethyl)-methyl-[(4-nitrophenyl)methyl]azanium
Also Known As: NCIOpen2_008610, ADL 20, NCI60_038987, Bis(2-chloroethyl)(methyl)(4-nitrobenzyl)aminium, bis(2-chloroethyl)(methyl)[(4-nitrophenyl)methyl]azanium
| Molecular Formula | C12H17Cl2N2O2+ |
|---|---|
| Molecular Weight | 291.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 291.0667 |
| Heavy Atoms | 18 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 19573-24-1 |
|---|---|
| SMILES | C[N+](CCCl)(CCCl)CC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | MBRFMTXYGMPQPW-UHFFFAOYSA-N |
Product Overview
N,N-Bis(2-chloroethyl)-N-methyl-4-nitrobenzenemethanaminium (CAS 19573-24-1), with molecular formula C12H17Cl2N2O2+ and molecular weight 291.07 g/mol. IUPAC: bis(2-chloroethyl)-methyl-[(4-nitrophenyl)methyl]azanium.
Chemical Property Profile of N,N-Bis(2-chloroethyl)-N-methyl-4-nitrobenzenemethanaminium
Property Insights of N,N-Bis(2-chloroethyl)-N-methyl-4-nitrobenzenemethanaminium
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-Bis(2-chloroethyl)-N-methyl-4-nitrobenzenemethanaminium. With a topological polar surface area (TPSA) of 45.8 Ų, N,N-Bis(2-chloroethyl)-N-methyl-4-nitrobenzenemethanaminium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Bis(2-chloroethyl)-N-methyl-4-nitrobenzenemethanaminium 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 N,N-Bis(2-chloroethyl)-N-methyl-4-nitrobenzenemethanaminium?
The CAS number of N,N-Bis(2-chloroethyl)-N-methyl-4-nitrobenzenemethanaminium is 19573-24-1.
What is the molecular formula of N,N-Bis(2-chloroethyl)-N-methyl-4-nitrobenzenemethanaminium?
The molecular formula of N,N-Bis(2-chloroethyl)-N-methyl-4-nitrobenzenemethanaminium is C12H17Cl2N2O2+.
What is the molecular weight of N,N-Bis(2-chloroethyl)-N-methyl-4-nitrobenzenemethanaminium?
The molecular weight of N,N-Bis(2-chloroethyl)-N-methyl-4-nitrobenzenemethanaminium is 291.07 g/mol.
Where can I buy N,N-Bis(2-chloroethyl)-N-methyl-4-nitrobenzenemethanaminium?
You can request a quote for N,N-Bis(2-chloroethyl)-N-methyl-4-nitrobenzenemethanaminium 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)-N-methyl-4-nitrobenzenemethanaminium?
Yes, KEHONG BIO provides custom synthesis services for N,N-Bis(2-chloroethyl)-N-methyl-4-nitrobenzenemethanaminium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.