1-(2-Chloroethyl)-3-(2,6-dioxo-3-piperidinyl)-1-nitrosourea
TL;DR: 1-(2-Chloroethyl)-3-(2,6-dioxo-3-piperidinyl)-1-nitrosourea (CAS 13909-02-9) is a chemical compound with molecular formula C8H11ClN4O4 and molecular weight 262.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-(2,6-dioxopiperidin-3-yl)-1-nitrosourea
Also Known As: PCNU, 1-(2-Chloroethyl)-3-(2,6-dioxo-3-piperidyl)-1-nitrosourea, AI3-52898, Urea, N-(2-chloroethyl)-N'-(2,6-dioxo-3-piperidinyl)-N-nitroso-, Urea,6-dioxo-3-piperidyl)-1-nitroso-
| Molecular Formula | C8H11ClN4O4 |
|---|---|
| Molecular Weight | 262.05 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.04688 |
| Heavy Atoms | 17 |
| Complexity | 348.0 |
| Solubility | Water < 1 (mg/mL) |
Chemical Identifiers
| CAS Number | 13909-02-9 |
|---|---|
| SMILES | C1CC(=O)NC(=O)C1NC(=O)N(CCCl)N=O |
| InChIKey | KHWIRCOLWPNBJP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2-Chloroethyl)-3-(2,6-dioxo-3-piperidinyl)-1-nitrosourea (CAS 13909-02-9), with molecular formula C8H11ClN4O4 and molecular weight 262.05 g/mol. IUPAC: 1-(2-chloroethyl)-3-(2,6-dioxopiperidin-3-yl)-1-nitrosourea.
Chemical Property Profile of 1-(2-Chloroethyl)-3-(2,6-dioxo-3-piperidinyl)-1-nitrosourea
Property Insights of 1-(2-Chloroethyl)-3-(2,6-dioxo-3-piperidinyl)-1-nitrosourea
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Chloroethyl)-3-(2,6-dioxo-3-piperidinyl)-1-nitrosourea. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Chloroethyl)-3-(2,6-dioxo-3-piperidinyl)-1-nitrosourea. Following Lipinski's Rule of Five, 1-(2-Chloroethyl)-3-(2,6-dioxo-3-piperidinyl)-1-nitrosourea has 2 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-(2,6-dioxo-3-piperidinyl)-1-nitrosourea?
The CAS number of 1-(2-Chloroethyl)-3-(2,6-dioxo-3-piperidinyl)-1-nitrosourea is 13909-02-9.
What is the molecular formula of 1-(2-Chloroethyl)-3-(2,6-dioxo-3-piperidinyl)-1-nitrosourea?
The molecular formula of 1-(2-Chloroethyl)-3-(2,6-dioxo-3-piperidinyl)-1-nitrosourea is C8H11ClN4O4.
What is the molecular weight of 1-(2-Chloroethyl)-3-(2,6-dioxo-3-piperidinyl)-1-nitrosourea?
The molecular weight of 1-(2-Chloroethyl)-3-(2,6-dioxo-3-piperidinyl)-1-nitrosourea is 262.05 g/mol.
Where can I buy 1-(2-Chloroethyl)-3-(2,6-dioxo-3-piperidinyl)-1-nitrosourea?
You can request a quote for 1-(2-Chloroethyl)-3-(2,6-dioxo-3-piperidinyl)-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-(2,6-dioxo-3-piperidinyl)-1-nitrosourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chloroethyl)-3-(2,6-dioxo-3-piperidinyl)-1-nitrosourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.