N,N-Bis(2-chloroethyl)-4-nitro-benzamide
TL;DR: N,N-Bis(2-chloroethyl)-4-nitro-benzamide (CAS 18237-83-7) is a chemical compound with molecular formula C11H12Cl2N2O3 and molecular weight 290.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-chloroethyl)-4-nitrobenzamide
Also Known As: N,N-bis(2-chloroethyl)-4-nitrobenzamide, N. N-(2-chloroethyl) p-nitrobenzamide, N,N-BIS(2-CHLOROETHYL)-4-NITRO-BENZAMIDE, 4-nitro-benzoic acid-[bis-(2-chloro-ethyl)-amide], 4-
| Molecular Formula | C11H12Cl2N2O3 |
|---|---|
| Molecular Weight | 290.02 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 290.0225 |
| Heavy Atoms | 18 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 18237-83-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)N(CCCl)CCCl)[N+](=O)[O-] |
| InChIKey | NMNJIQKNVNODPA-UHFFFAOYSA-N |
Product Overview
N,N-Bis(2-chloroethyl)-4-nitro-benzamide (CAS 18237-83-7), with molecular formula C11H12Cl2N2O3 and molecular weight 290.02 g/mol. IUPAC: N,N-bis(2-chloroethyl)-4-nitrobenzamide.
Chemical Property Profile of N,N-Bis(2-chloroethyl)-4-nitro-benzamide
Property Insights of N,N-Bis(2-chloroethyl)-4-nitro-benzamide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-Bis(2-chloroethyl)-4-nitro-benzamide. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-Bis(2-chloroethyl)-4-nitro-benzamide. Following Lipinski's Rule of Five, N,N-Bis(2-chloroethyl)-4-nitro-benzamide 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)-4-nitro-benzamide?
The CAS number of N,N-Bis(2-chloroethyl)-4-nitro-benzamide is 18237-83-7.
What is the molecular formula of N,N-Bis(2-chloroethyl)-4-nitro-benzamide?
The molecular formula of N,N-Bis(2-chloroethyl)-4-nitro-benzamide is C11H12Cl2N2O3.
What is the molecular weight of N,N-Bis(2-chloroethyl)-4-nitro-benzamide?
The molecular weight of N,N-Bis(2-chloroethyl)-4-nitro-benzamide is 290.02 g/mol.
Where can I buy N,N-Bis(2-chloroethyl)-4-nitro-benzamide?
You can request a quote for N,N-Bis(2-chloroethyl)-4-nitro-benzamide 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-nitro-benzamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-Bis(2-chloroethyl)-4-nitro-benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.