Benzanilide, 3-(bis(2-chloroethyl)amino)-4'-methyl-2'-nitro-
TL;DR: Benzanilide, 3-(bis(2-chloroethyl)amino)-4'-methyl-2'-nitro- (CAS 2905-91-1) is a chemical compound with molecular formula C18H19Cl2N3O3 and molecular weight 395.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[bis(2-chloroethyl)amino]-N-(4-methyl-2-nitrophenyl)benzamide
Also Known As: 3-(Bis(2-chloroethyl)amino)-4'-methyl-2'-nitrobenzanilide, 3-[Bis amino]-4'-methyl-2'-nitrobenzanilide, Benzanilide, 3-(bis(2-chloroethyl)amino)-4'-methyl-2'-nitro-, 3-[bis(2-chloroethyl)amino]-n-(4-methyl-2-nitrophenyl)benzamide, Quinolinium,2-(p-dimethylaminophenyl)-1,4,6-trimethyl-,iodide
| Molecular Formula | C18H19Cl2N3O3 |
|---|---|
| Molecular Weight | 395.08 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 78.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 395.08035 |
| Heavy Atoms | 26 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 2905-91-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=O)C2=CC(=CC=C2)N(CCCl)CCCl)[N+](=O)[O-] |
| InChIKey | XBDVFRFVNXUABZ-UHFFFAOYSA-N |
Product Overview
Benzanilide, 3-(bis(2-chloroethyl)amino)-4'-methyl-2'-nitro- (CAS 2905-91-1), with molecular formula C18H19Cl2N3O3 and molecular weight 395.08 g/mol. IUPAC: 3-[bis(2-chloroethyl)amino]-N-(4-methyl-2-nitrophenyl)benzamide.
Chemical Property Profile of Benzanilide, 3-(bis(2-chloroethyl)amino)-4'-methyl-2'-nitro-
Property Insights of Benzanilide, 3-(bis(2-chloroethyl)amino)-4'-methyl-2'-nitro-
The XLogP value of 4.5 indicates that Benzanilide, 3-(bis(2-chloroethyl)amino)-4'-methyl-2'-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzanilide, 3-(bis(2-chloroethyl)amino)-4'-methyl-2'-nitro-. Following Lipinski's Rule of Five, Benzanilide, 3-(bis(2-chloroethyl)amino)-4'-methyl-2'-nitro- has 1 hydrogen bond donor(s) and 4 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 Benzanilide, 3-(bis(2-chloroethyl)amino)-4'-methyl-2'-nitro-?
The CAS number of Benzanilide, 3-(bis(2-chloroethyl)amino)-4'-methyl-2'-nitro- is 2905-91-1.
What is the molecular formula of Benzanilide, 3-(bis(2-chloroethyl)amino)-4'-methyl-2'-nitro-?
The molecular formula of Benzanilide, 3-(bis(2-chloroethyl)amino)-4'-methyl-2'-nitro- is C18H19Cl2N3O3.
What is the molecular weight of Benzanilide, 3-(bis(2-chloroethyl)amino)-4'-methyl-2'-nitro-?
The molecular weight of Benzanilide, 3-(bis(2-chloroethyl)amino)-4'-methyl-2'-nitro- is 395.08 g/mol.
Where can I buy Benzanilide, 3-(bis(2-chloroethyl)amino)-4'-methyl-2'-nitro-?
You can request a quote for Benzanilide, 3-(bis(2-chloroethyl)amino)-4'-methyl-2'-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzanilide, 3-(bis(2-chloroethyl)amino)-4'-methyl-2'-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzanilide, 3-(bis(2-chloroethyl)amino)-4'-methyl-2'-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.