3-((bis(2-chloroethyl)amino)methyl)-5-(4-nitrobenzylidene)-2
TL;DR: 3-((bis(2-chloroethyl)amino)methyl)-5-(4-nitrobenzylidene)-2 (CAS 155538-63-9) is a chemical compound with molecular formula C15H15Cl2N3O3S2 and molecular weight 418.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[bis(2-chloroethyl)aminomethyl]-5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 3-((bis(2-chloroethyl)amino)methyl)-5-(4-nitrobenzylidene)-2, 3-[bis(2-chloroethyl)aminomethyl]-5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C15H15Cl2N3O3S2 |
|---|---|
| Molecular Weight | 418.99 g/mol |
| LogP | 3.5331 |
| Topological Polar Surface Area | 66.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 418.9932 |
| Heavy Atoms | 25 |
| Complexity | 691.7669 |
Chemical Identifiers
| CAS Number | 155538-63-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C=C2C(=O)N(C(=S)S2)CN(CCCl)CCCl)[N+](=O)[O-] |
Product Overview
3-((bis(2-chloroethyl)amino)methyl)-5-(4-nitrobenzylidene)-2 (CAS 155538-63-9), with molecular formula C15H15Cl2N3O3S2 and molecular weight 418.99 g/mol. IUPAC: 3-[bis(2-chloroethyl)aminomethyl]-5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 3-((bis(2-chloroethyl)amino)methyl)-5-(4-nitrobenzylidene)-2
Property Insights of 3-((bis(2-chloroethyl)amino)methyl)-5-(4-nitrobenzylidene)-2
The XLogP value of 3.5331 indicates that 3-((bis(2-chloroethyl)amino)methyl)-5-(4-nitrobenzylidene)-2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((bis(2-chloroethyl)amino)methyl)-5-(4-nitrobenzylidene)-2. Following Lipinski's Rule of Five, 3-((bis(2-chloroethyl)amino)methyl)-5-(4-nitrobenzylidene)-2 has 0 hydrogen bond donor(s) and 6 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 3-((bis(2-chloroethyl)amino)methyl)-5-(4-nitrobenzylidene)-2?
The CAS number of 3-((bis(2-chloroethyl)amino)methyl)-5-(4-nitrobenzylidene)-2 is 155538-63-9.
What is the molecular formula of 3-((bis(2-chloroethyl)amino)methyl)-5-(4-nitrobenzylidene)-2?
The molecular formula of 3-((bis(2-chloroethyl)amino)methyl)-5-(4-nitrobenzylidene)-2 is C15H15Cl2N3O3S2.
What is the molecular weight of 3-((bis(2-chloroethyl)amino)methyl)-5-(4-nitrobenzylidene)-2?
The molecular weight of 3-((bis(2-chloroethyl)amino)methyl)-5-(4-nitrobenzylidene)-2 is 418.99 g/mol.
Where can I buy 3-((bis(2-chloroethyl)amino)methyl)-5-(4-nitrobenzylidene)-2?
You can request a quote for 3-((bis(2-chloroethyl)amino)methyl)-5-(4-nitrobenzylidene)-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((bis(2-chloroethyl)amino)methyl)-5-(4-nitrobenzylidene)-2?
Yes, KEHONG BIO provides custom synthesis services for 3-((bis(2-chloroethyl)amino)methyl)-5-(4-nitrobenzylidene)-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.