Mechlorethamine Oxide
TL;DR: Mechlorethamine Oxide (CAS 126-85-2) is a chemical compound with molecular formula C5H11Cl2NO and molecular weight 171.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(2-chloroethyl)-N-methylethanamine oxide
Also Known As: Nitrogen mustard N-oxide, Mechlorethamine oxide, Mitomen, HN2 amine oxide, Nitrogen mustard oxide
| Molecular Formula | C5H11Cl2NO |
|---|---|
| Molecular Weight | 171.02 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 18.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 171.02177 |
| Heavy Atoms | 9 |
| Complexity | 73.0 |
Chemical Identifiers
| CAS Number | 126-85-2 |
|---|---|
| SMILES | C[N+](CCCl)(CCCl)[O-] |
| InChIKey | AFLXUQUGROGEFA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Mechlorethamine Oxide (CAS 126-85-2), with molecular formula C5H11Cl2NO and molecular weight 171.02 g/mol. IUPAC: 2-chloro-N-(2-chloroethyl)-N-methylethanamine oxide.
Chemical Property Profile of Mechlorethamine Oxide
Property Insights of Mechlorethamine Oxide
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mechlorethamine Oxide. With a topological polar surface area (TPSA) of 18.1 Ų, Mechlorethamine Oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Mechlorethamine Oxide has 0 hydrogen bond donor(s) and 1 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 Mechlorethamine Oxide?
The CAS number of Mechlorethamine Oxide is 126-85-2.
What is the molecular formula of Mechlorethamine Oxide?
The molecular formula of Mechlorethamine Oxide is C5H11Cl2NO.
What is the molecular weight of Mechlorethamine Oxide?
The molecular weight of Mechlorethamine Oxide is 171.02 g/mol.
Where can I buy Mechlorethamine Oxide?
You can request a quote for Mechlorethamine Oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mechlorethamine Oxide?
Yes, KEHONG BIO provides custom synthesis services for Mechlorethamine Oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.