![1-Butyl-3-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-1-nitrosourea structure](/static/products/7267/72676-69-8.webp)
1-Butyl-3-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-1-nitrosourea
TL;DR: 1-Butyl-3-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-1-nitrosourea (CAS 72676-69-8) is a chemical compound with molecular formula C16H20N4O4 and molecular weight 332.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-3-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-1-nitrosourea
Also Known As: 1-butyl-3-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-1-nitrosourea, 1-butyl-3-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-1-ni, N-butyl-N'-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-N-nitrosourea, Urea,n-butyl-n-[4-(1-methyl-2,5-dioxo-3-pyrrolidinyl)phenyl]-n-nitroso-
| Molecular Formula | C16H20N4O4 |
|---|---|
| Molecular Weight | 332.15 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 99.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 332.14847 |
| Heavy Atoms | 24 |
| Complexity | 502.0 |
Chemical Identifiers
| CAS Number | 72676-69-8 |
|---|---|
| SMILES | CCCCN(C(=O)NC1=CC=C(C=C1)C2CC(=O)N(C2=O)C)N=O |
| InChIKey | KUEAUGOGAMLKAF-UHFFFAOYSA-N |
Product Overview
1-Butyl-3-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-1-nitrosourea (CAS 72676-69-8), with molecular formula C16H20N4O4 and molecular weight 332.15 g/mol. IUPAC: 1-butyl-3-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-1-nitrosourea.
Chemical Property Profile of 1-Butyl-3-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-1-nitrosourea
Property Insights of 1-Butyl-3-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-1-nitrosourea
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butyl-3-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-1-nitrosourea. The TPSA of 99.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Butyl-3-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-1-nitrosourea. Following Lipinski's Rule of Five, 1-Butyl-3-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-1-nitrosourea has 1 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 1-Butyl-3-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-1-nitrosourea?
The CAS number of 1-Butyl-3-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-1-nitrosourea is 72676-69-8.
What is the molecular formula of 1-Butyl-3-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-1-nitrosourea?
The molecular formula of 1-Butyl-3-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-1-nitrosourea is C16H20N4O4.
What is the molecular weight of 1-Butyl-3-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-1-nitrosourea?
The molecular weight of 1-Butyl-3-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-1-nitrosourea is 332.15 g/mol.
Where can I buy 1-Butyl-3-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-1-nitrosourea?
You can request a quote for 1-Butyl-3-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-1-nitrosourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butyl-3-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-1-nitrosourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Butyl-3-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-1-nitrosourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.