Mechlorethamine Oxide
TL;DR: Mechlorethamine Oxide (CAS 126-85-2) is a chemical compound with molecular formula C5H11Cl2NO and molecular weight 171.02177 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-N-(2-chloroethyl)-N-methylethanamine oxide
Also Known As: Nitrogen mustard N-oxide, Mechlorethamine oxide, Mitomen, HN2 amine oxide, Nitrogen mustard oxide
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H11Cl2NO |
| Molecular Weight | 171.02177 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 18.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 171.02177 Da |
| Heavy Atoms | 9 |
| Complexity | 73.0 |
| SMILES | C[N+](CCCl)(CCCl)[O-] |
| InChIKey | AFLXUQUGROGEFA-UHFFFAOYSA-N |
Product Description
Applications: Mechlorethamine Oxide is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as an oxidizing agent in synthetic sequences. CoreyChem supplies Mechlorethamine Oxide (CAS 126-85-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Mechlorethamine Oxide (CAS 126-85-2) is a pharmaceutical intermediate with the molecular formula C5H11Cl2NO and a molecular weight of 171.02 g/mol. It is also known as Nitrogen mustard N-oxide and Mechlorethamine oxide.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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
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 171.02177 g/mol.
What are the applications of Mechlorethamine Oxide?
Mechlorethamine Oxide is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as an oxidizing agent in synthetic sequences. CoreyChem supplies Mechlorethamine Oxide (CAS 126-85-2)...
Where can I buy Mechlorethamine Oxide?
You can request a quote for Mechlorethamine Oxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Mechlorethamine Oxide?
Yes, CoreyChem provides custom synthesis services for Mechlorethamine Oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.