Benzamide, N-((bis(2-chloroethyl)amino)methyl)-4-nitro-
TL;DR: Benzamide, N-((bis(2-chloroethyl)amino)methyl)-4-nitro- (CAS 25100-67-8) is a chemical compound with molecular formula C12H15Cl2N3O3 and molecular weight 319.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[bis(2-chloroethyl)aminomethyl]-4-nitrobenzamide
Also Known As: Benzamide, N-((bis(2-chloroethyl)amino)methyl)-4-nitro-, N-((Bis(2-chloroethyl)amino)methyl)-4-nitrobenzamide, N-(Bis(2-chloraethyl)aminomethyl)-4-nitrobenzamid, N-(Bis(2-chloraethyl)aminomethyl)-4-nitrobenzamid [German], n-{[bis(2-chloroethyl)amino]methyl}-4-nitrobenzamide
| Molecular Formula | C12H15Cl2N3O3 |
|---|---|
| Molecular Weight | 319.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 78.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 319.04904 |
| Heavy Atoms | 20 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 25100-67-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NCN(CCCl)CCCl)[N+](=O)[O-] |
| InChIKey | TYVFKLZVXGKKMZ-UHFFFAOYSA-N |
Product Overview
Benzamide, N-((bis(2-chloroethyl)amino)methyl)-4-nitro- (CAS 25100-67-8), with molecular formula C12H15Cl2N3O3 and molecular weight 319.05 g/mol. IUPAC: N-[bis(2-chloroethyl)aminomethyl]-4-nitrobenzamide.
Chemical Property Profile of Benzamide, N-((bis(2-chloroethyl)amino)methyl)-4-nitro-
Property Insights of Benzamide, N-((bis(2-chloroethyl)amino)methyl)-4-nitro-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzamide, N-((bis(2-chloroethyl)amino)methyl)-4-nitro-. The TPSA of 78.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzamide, N-((bis(2-chloroethyl)amino)methyl)-4-nitro-. Following Lipinski's Rule of Five, Benzamide, N-((bis(2-chloroethyl)amino)methyl)-4-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 Benzamide, N-((bis(2-chloroethyl)amino)methyl)-4-nitro-?
The CAS number of Benzamide, N-((bis(2-chloroethyl)amino)methyl)-4-nitro- is 25100-67-8.
What is the molecular formula of Benzamide, N-((bis(2-chloroethyl)amino)methyl)-4-nitro-?
The molecular formula of Benzamide, N-((bis(2-chloroethyl)amino)methyl)-4-nitro- is C12H15Cl2N3O3.
What is the molecular weight of Benzamide, N-((bis(2-chloroethyl)amino)methyl)-4-nitro-?
The molecular weight of Benzamide, N-((bis(2-chloroethyl)amino)methyl)-4-nitro- is 319.05 g/mol.
Where can I buy Benzamide, N-((bis(2-chloroethyl)amino)methyl)-4-nitro-?
You can request a quote for Benzamide, N-((bis(2-chloroethyl)amino)methyl)-4-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzamide, N-((bis(2-chloroethyl)amino)methyl)-4-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzamide, N-((bis(2-chloroethyl)amino)methyl)-4-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.