N-(2-Chloroethyl)-N'-(2,3-dihydroxypropyl)-N-nitrosourea
TL;DR: N-(2-Chloroethyl)-N'-(2,3-dihydroxypropyl)-N-nitrosourea (CAS 77113-51-0) is a chemical compound with molecular formula C6H12ClN3O4 and molecular weight 225.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-(2,3-dihydroxypropyl)-1-nitrosourea
Also Known As: 1-(2-chloroethyl)-3-(2,3-dihydroxypropyl)-1-nitrosourea, N-(2-Chloroethyl)-N'-(2,3-dihydroxypropyl)-N-nitrosourea, 1-(2-chloroethyl)-1-nitroso-3-(2,3-dihydroxypropyl)-urea, 1-(2-chloroethyl)-3-(2,3-dihydroxypropyl)-1-nitroso-urea, RefChem:360591
| Molecular Formula | C6H12ClN3O4 |
|---|---|
| Molecular Weight | 225.05 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 225.05164 |
| Heavy Atoms | 14 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 77113-51-0 |
|---|---|
| SMILES | C(CCl)N(C(=O)NCC(CO)O)N=O |
| InChIKey | ACZWCVBYCKDESV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2-Chloroethyl)-N'-(2,3-dihydroxypropyl)-N-nitrosourea (CAS 77113-51-0), with molecular formula C6H12ClN3O4 and molecular weight 225.05 g/mol. IUPAC: 1-(2-chloroethyl)-3-(2,3-dihydroxypropyl)-1-nitrosourea.
Chemical Property Profile of N-(2-Chloroethyl)-N'-(2,3-dihydroxypropyl)-N-nitrosourea
Property Insights of N-(2-Chloroethyl)-N'-(2,3-dihydroxypropyl)-N-nitrosourea
The XLogP value of -0.4 indicates that N-(2-Chloroethyl)-N'-(2,3-dihydroxypropyl)-N-nitrosourea is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-Chloroethyl)-N'-(2,3-dihydroxypropyl)-N-nitrosourea. Following Lipinski's Rule of Five, N-(2-Chloroethyl)-N'-(2,3-dihydroxypropyl)-N-nitrosourea 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-(2-Chloroethyl)-N'-(2,3-dihydroxypropyl)-N-nitrosourea?
The CAS number of N-(2-Chloroethyl)-N'-(2,3-dihydroxypropyl)-N-nitrosourea is 77113-51-0.
What is the molecular formula of N-(2-Chloroethyl)-N'-(2,3-dihydroxypropyl)-N-nitrosourea?
The molecular formula of N-(2-Chloroethyl)-N'-(2,3-dihydroxypropyl)-N-nitrosourea is C6H12ClN3O4.
What is the molecular weight of N-(2-Chloroethyl)-N'-(2,3-dihydroxypropyl)-N-nitrosourea?
The molecular weight of N-(2-Chloroethyl)-N'-(2,3-dihydroxypropyl)-N-nitrosourea is 225.05 g/mol.
Where can I buy N-(2-Chloroethyl)-N'-(2,3-dihydroxypropyl)-N-nitrosourea?
You can request a quote for N-(2-Chloroethyl)-N'-(2,3-dihydroxypropyl)-N-nitrosourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Chloroethyl)-N'-(2,3-dihydroxypropyl)-N-nitrosourea?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Chloroethyl)-N'-(2,3-dihydroxypropyl)-N-nitrosourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.