![5-{4-[Bis(2-chloroethyl)amino]benzylidene}pyrimidine-2,4,6(1h,3h,5h)-trione structure](/static/products/805/8050-96-2.png)
5-{4-[Bis(2-chloroethyl)amino]benzylidene}pyrimidine-2,4,6(1h,3h,5h)-trione
TL;DR: 5-{4-[Bis(2-chloroethyl)amino]benzylidene}pyrimidine-2,4,6(1h,3h,5h)-trione (CAS 8050-96-2) is a chemical compound with molecular formula C15H15Cl2N3O3 and molecular weight 355.05 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]methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: BAS 00275600, AF-407/33698023, 5-{4-[bis(2-chloroethyl)amino]benzylidene}pyrimidine-2,4,6(1h,3h,5h)-trione, 2,4,6(1H,3H,5H)-Pyrimidinetrione,5-[[4-[bis(2-chloroethyl)amino]phenyl]methylene]-, 5-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]-1,3-diazi
| Molecular Formula | C15H15Cl2N3O3 |
|---|---|
| Molecular Weight | 355.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 78.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 355.04904 |
| Heavy Atoms | 23 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 8050-96-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C=C2C(=O)NC(=O)NC2=O)N(CCCl)CCCl |
| InChIKey | VMTWXIRNUYZQPN-UHFFFAOYSA-N |
Product Overview
5-{4-[Bis(2-chloroethyl)amino]benzylidene}pyrimidine-2,4,6(1h,3h,5h)-trione (CAS 8050-96-2), with molecular formula C15H15Cl2N3O3 and molecular weight 355.05 g/mol. IUPAC: 5-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-{4-[Bis(2-chloroethyl)amino]benzylidene}pyrimidine-2,4,6(1h,3h,5h)-trione
Property Insights of 5-{4-[Bis(2-chloroethyl)amino]benzylidene}pyrimidine-2,4,6(1h,3h,5h)-trione
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-{4-[Bis(2-chloroethyl)amino]benzylidene}pyrimidine-2,4,6(1h,3h,5h)-trione. The TPSA of 78.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-{4-[Bis(2-chloroethyl)amino]benzylidene}pyrimidine-2,4,6(1h,3h,5h)-trione. Following Lipinski's Rule of Five, 5-{4-[Bis(2-chloroethyl)amino]benzylidene}pyrimidine-2,4,6(1h,3h,5h)-trione has 2 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 5-{4-[Bis(2-chloroethyl)amino]benzylidene}pyrimidine-2,4,6(1h,3h,5h)-trione?
The CAS number of 5-{4-[Bis(2-chloroethyl)amino]benzylidene}pyrimidine-2,4,6(1h,3h,5h)-trione is 8050-96-2.
What is the molecular formula of 5-{4-[Bis(2-chloroethyl)amino]benzylidene}pyrimidine-2,4,6(1h,3h,5h)-trione?
The molecular formula of 5-{4-[Bis(2-chloroethyl)amino]benzylidene}pyrimidine-2,4,6(1h,3h,5h)-trione is C15H15Cl2N3O3.
What is the molecular weight of 5-{4-[Bis(2-chloroethyl)amino]benzylidene}pyrimidine-2,4,6(1h,3h,5h)-trione?
The molecular weight of 5-{4-[Bis(2-chloroethyl)amino]benzylidene}pyrimidine-2,4,6(1h,3h,5h)-trione is 355.05 g/mol.
Where can I buy 5-{4-[Bis(2-chloroethyl)amino]benzylidene}pyrimidine-2,4,6(1h,3h,5h)-trione?
You can request a quote for 5-{4-[Bis(2-chloroethyl)amino]benzylidene}pyrimidine-2,4,6(1h,3h,5h)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-{4-[Bis(2-chloroethyl)amino]benzylidene}pyrimidine-2,4,6(1h,3h,5h)-trione?
Yes, KEHONG BIO provides custom synthesis services for 5-{4-[Bis(2-chloroethyl)amino]benzylidene}pyrimidine-2,4,6(1h,3h,5h)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.