Elmustine
TL;DR: Elmustine (CAS 60784-46-5) is a chemical compound with molecular formula C5H10ClN3O3 and molecular weight 195.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-(2-hydroxyethyl)-1-nitrosourea
Also Known As: Elmustine, Hecnu, Elmustina, Hemustine, Elmustinum
| Molecular Formula | C5H10ClN3O3 |
|---|---|
| Molecular Weight | 195.04 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 82.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 195.04106 |
| Heavy Atoms | 12 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 60784-46-5 |
|---|---|
| SMILES | C(CO)NC(=O)N(CCCl)N=O |
| InChIKey | YJZJEQBSODVMTH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Elmustine (CAS 60784-46-5), with molecular formula C5H10ClN3O3 and molecular weight 195.04 g/mol. IUPAC: 1-(2-chloroethyl)-3-(2-hydroxyethyl)-1-nitrosourea.
Chemical Property Profile of Elmustine
Property Insights of Elmustine
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Elmustine. The TPSA of 82.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Elmustine. Following Lipinski's Rule of Five, Elmustine 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 Elmustine?
The CAS number of Elmustine is 60784-46-5.
What is the molecular formula of Elmustine?
The molecular formula of Elmustine is C5H10ClN3O3.
What is the molecular weight of Elmustine?
The molecular weight of Elmustine is 195.04 g/mol.
Where can I buy Elmustine?
You can request a quote for Elmustine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Elmustine?
Yes, KEHONG BIO provides custom synthesis services for Elmustine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.