![1-(2-Chloroethyl)-3-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-1-nitrosourea structure](/static/products/7267/72676-70-1.webp)
1-(2-Chloroethyl)-3-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-1-nitrosourea
TL;DR: 1-(2-Chloroethyl)-3-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-1-nitrosourea (CAS 72676-70-1) is a chemical compound with molecular formula C14H15ClN4O4 and molecular weight 338.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-1-nitrosourea
Also Known As: Urea,5-dioxo-3-pyrrolidinyl)phenyl]-N-nitroso-, Urea,5-dioxo-3-pyyrrolidinyl)phenyl]-N-nitroso-, 1-(2-chloroethyl)-3-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-1-nitrosourea, 1-(2-chloroethyl)-3-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)ph, N-(2-chloroethyl)-N'-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-N-nitrosourea
| Molecular Formula | C14H15ClN4O4 |
|---|---|
| Molecular Weight | 338.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 99.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.0782 |
| Heavy Atoms | 23 |
| Complexity | 493.0 |
Chemical Identifiers
| CAS Number | 72676-70-1 |
|---|---|
| SMILES | CN1C(=O)CC(C1=O)C2=CC=C(C=C2)NC(=O)N(CCCl)N=O |
| InChIKey | DFTHABQFPUAXOF-UHFFFAOYSA-N |
Product Overview
1-(2-Chloroethyl)-3-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-1-nitrosourea (CAS 72676-70-1), with molecular formula C14H15ClN4O4 and molecular weight 338.08 g/mol. IUPAC: 1-(2-chloroethyl)-3-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-1-nitrosourea.
Chemical Property Profile of 1-(2-Chloroethyl)-3-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-1-nitrosourea
Property Insights of 1-(2-Chloroethyl)-3-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-1-nitrosourea
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Chloroethyl)-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-(2-Chloroethyl)-3-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-1-nitrosourea. Following Lipinski's Rule of Five, 1-(2-Chloroethyl)-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-(2-Chloroethyl)-3-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-1-nitrosourea?
The CAS number of 1-(2-Chloroethyl)-3-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-1-nitrosourea is 72676-70-1.
What is the molecular formula of 1-(2-Chloroethyl)-3-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-1-nitrosourea?
The molecular formula of 1-(2-Chloroethyl)-3-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-1-nitrosourea is C14H15ClN4O4.
What is the molecular weight of 1-(2-Chloroethyl)-3-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-1-nitrosourea?
The molecular weight of 1-(2-Chloroethyl)-3-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-1-nitrosourea is 338.08 g/mol.
Where can I buy 1-(2-Chloroethyl)-3-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-1-nitrosourea?
You can request a quote for 1-(2-Chloroethyl)-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-(2-Chloroethyl)-3-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-1-nitrosourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chloroethyl)-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.