![N'-[(E)-{4-[Bis(2-chloroethyl)amino]phenyl}methylidene]-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbohydrazide structure](/static/products/804/804-25-1.png)
N'-[(E)-{4-[Bis(2-chloroethyl)amino]phenyl}methylidene]-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbohydrazide
TL;DR: N'-[(E)-{4-[Bis(2-chloroethyl)amino]phenyl}methylidene]-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbohydrazide (CAS 804-25-1) is a chemical compound with molecular formula C16H17Cl2N5O3 and molecular weight 397.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-2,4-dioxo-1H-pyrimidine-5-carboxamide
Also Known As: N'-[(E)-{4-[Bis(2-chloroethyl)amino]phenyl}methylidene]-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbohydrazide, N-[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-2,4-dioxo-1H-pyrimidine-5-carboxamide
| Molecular Formula | C16H17Cl2N5O3 |
|---|---|
| Molecular Weight | 397.07 g/mol |
| LogP | 1.1111 |
| Topological Polar Surface Area | 110.42 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 397.07083 |
| Heavy Atoms | 26 |
| Complexity | 870.4442 |
Chemical Identifiers
| CAS Number | 804-25-1 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=N/NC(=O)C2=CNC(=O)NC2=O)N(CCCl)CCCl |
Product Overview
N'-[(E)-{4-[Bis(2-chloroethyl)amino]phenyl}methylidene]-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbohydrazide (CAS 804-25-1), with molecular formula C16H17Cl2N5O3 and molecular weight 397.07 g/mol. IUPAC: N-[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-2,4-dioxo-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of N'-[(E)-{4-[Bis(2-chloroethyl)amino]phenyl}methylidene]-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbohydrazide
Property Insights of N'-[(E)-{4-[Bis(2-chloroethyl)amino]phenyl}methylidene]-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbohydrazide
The XLogP value of 1.1111 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N'-[(E)-{4-[Bis(2-chloroethyl)amino]phenyl}methylidene]-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbohydrazide. The TPSA of 110.42 Ų falls within the moderate polarity range, balancing permeability and solubility for N'-[(E)-{4-[Bis(2-chloroethyl)amino]phenyl}methylidene]-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbohydrazide. Following Lipinski's Rule of Five, N'-[(E)-{4-[Bis(2-chloroethyl)amino]phenyl}methylidene]-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbohydrazide has 3 hydrogen bond donor(s) and 5 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'-[(E)-{4-[Bis(2-chloroethyl)amino]phenyl}methylidene]-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbohydrazide?
The CAS number of N'-[(E)-{4-[Bis(2-chloroethyl)amino]phenyl}methylidene]-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbohydrazide is 804-25-1.
What is the molecular formula of N'-[(E)-{4-[Bis(2-chloroethyl)amino]phenyl}methylidene]-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbohydrazide?
The molecular formula of N'-[(E)-{4-[Bis(2-chloroethyl)amino]phenyl}methylidene]-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbohydrazide is C16H17Cl2N5O3.
What is the molecular weight of N'-[(E)-{4-[Bis(2-chloroethyl)amino]phenyl}methylidene]-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbohydrazide?
The molecular weight of N'-[(E)-{4-[Bis(2-chloroethyl)amino]phenyl}methylidene]-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbohydrazide is 397.07 g/mol.
Where can I buy N'-[(E)-{4-[Bis(2-chloroethyl)amino]phenyl}methylidene]-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbohydrazide?
You can request a quote for N'-[(E)-{4-[Bis(2-chloroethyl)amino]phenyl}methylidene]-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-[(E)-{4-[Bis(2-chloroethyl)amino]phenyl}methylidene]-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbohydrazide?
Yes, KEHONG BIO provides custom synthesis services for N'-[(E)-{4-[Bis(2-chloroethyl)amino]phenyl}methylidene]-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.