Benzamide, 5-((p-(bis(2-chloroethyl)amino)phenyl)thio)-2,4-dinitro-
TL;DR: Benzamide, 5-((p-(bis(2-chloroethyl)amino)phenyl)thio)-2,4-dinitro- (CAS 32868-87-4) is a chemical compound with molecular formula C17H16Cl2N4O5S and molecular weight 458.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[4-[bis(2-chloroethyl)amino]phenyl]sulfanyl-2,4-dinitrobenzamide
Also Known As: 5-((p-(Bis(2-chloroethyl)amino)phenyl)thio)-2,4-dinitrobenzamide, BENZAMIDE, 5-((p-(BIS(2-CHLOROETHYL)AMINO)PHENYL)THIO)-2,4-DINITRO-, 5-[4-[bis(2-chloroethyl)amino]phenyl]sulfanyl-2,4-dinitrobenzamide, 5-({4-[bis(2-chloroethyl)amino]phenyl}sulfanyl)-2,4-dinitrobenzamide, RefChem:321791
| Molecular Formula | C17H16Cl2N4O5S |
|---|---|
| Molecular Weight | 458.02 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 458.02185 |
| Heavy Atoms | 29 |
| Complexity | 577.0 |
Chemical Identifiers
| CAS Number | 32868-87-4 |
|---|---|
| SMILES | C1=CC(=CC=C1N(CCCl)CCCl)SC2=C(C=C(C(=C2)C(=O)N)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | MDIRVRHWPFMNET-UHFFFAOYSA-N |
Product Overview
Benzamide, 5-((p-(bis(2-chloroethyl)amino)phenyl)thio)-2,4-dinitro- (CAS 32868-87-4), with molecular formula C17H16Cl2N4O5S and molecular weight 458.02 g/mol. IUPAC: 5-[4-[bis(2-chloroethyl)amino]phenyl]sulfanyl-2,4-dinitrobenzamide.
Chemical Property Profile of Benzamide, 5-((p-(bis(2-chloroethyl)amino)phenyl)thio)-2,4-dinitro-
Property Insights of Benzamide, 5-((p-(bis(2-chloroethyl)amino)phenyl)thio)-2,4-dinitro-
The XLogP value of 3.8 indicates that Benzamide, 5-((p-(bis(2-chloroethyl)amino)phenyl)thio)-2,4-dinitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 163.0 Ų indicates high polarity, suggesting Benzamide, 5-((p-(bis(2-chloroethyl)amino)phenyl)thio)-2,4-dinitro- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzamide, 5-((p-(bis(2-chloroethyl)amino)phenyl)thio)-2,4-dinitro- has 1 hydrogen bond donor(s) and 7 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, 5-((p-(bis(2-chloroethyl)amino)phenyl)thio)-2,4-dinitro-?
The CAS number of Benzamide, 5-((p-(bis(2-chloroethyl)amino)phenyl)thio)-2,4-dinitro- is 32868-87-4.
What is the molecular formula of Benzamide, 5-((p-(bis(2-chloroethyl)amino)phenyl)thio)-2,4-dinitro-?
The molecular formula of Benzamide, 5-((p-(bis(2-chloroethyl)amino)phenyl)thio)-2,4-dinitro- is C17H16Cl2N4O5S.
What is the molecular weight of Benzamide, 5-((p-(bis(2-chloroethyl)amino)phenyl)thio)-2,4-dinitro-?
The molecular weight of Benzamide, 5-((p-(bis(2-chloroethyl)amino)phenyl)thio)-2,4-dinitro- is 458.02 g/mol.
Where can I buy Benzamide, 5-((p-(bis(2-chloroethyl)amino)phenyl)thio)-2,4-dinitro-?
You can request a quote for Benzamide, 5-((p-(bis(2-chloroethyl)amino)phenyl)thio)-2,4-dinitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzamide, 5-((p-(bis(2-chloroethyl)amino)phenyl)thio)-2,4-dinitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzamide, 5-((p-(bis(2-chloroethyl)amino)phenyl)thio)-2,4-dinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.