Mechlorethamine Oxide Hydrochloride
TL;DR: Mechlorethamine Oxide Hydrochloride (CAS 302-70-5) is a chemical compound with molecular formula C5H12Cl3NO and molecular weight 207.00 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;hydrochloride
Also Known As: Nitromin, Mitomen, Mustron, Oxyamine, Ossichlorin
| Molecular Formula | C5H12Cl3NO |
|---|---|
| Molecular Weight | 207.00 g/mol |
| LogP | 1.83 |
| Topological Polar Surface Area | 18.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 206.99844 |
| Heavy Atoms | 10 |
| Complexity | 73.0 |
| Melting Point | 109-110 °C |
| Solubility | Sol in water |
Chemical Identifiers
| CAS Number | 302-70-5 |
|---|---|
| SMILES | C[N+](CCCl)(CCCl)[O-].Cl |
| InChIKey | SYNHCENRCUAUNM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Mechlorethamine Oxide Hydrochloride (CAS 302-70-5), with molecular formula C5H12Cl3NO and molecular weight 207.00 g/mol. IUPAC: 2-chloro-N-(2-chloroethyl)-N-methylethanamine oxide;hydrochloride.
Chemical Property Profile of Mechlorethamine Oxide Hydrochloride
Property Insights of Mechlorethamine Oxide Hydrochloride
The XLogP value of 1.83 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mechlorethamine Oxide Hydrochloride. With a topological polar surface area (TPSA) of 18.1 Ų, Mechlorethamine Oxide Hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Mechlorethamine Oxide Hydrochloride has 1 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 Hydrochloride?
The CAS number of Mechlorethamine Oxide Hydrochloride is 302-70-5.
What is the molecular formula of Mechlorethamine Oxide Hydrochloride?
The molecular formula of Mechlorethamine Oxide Hydrochloride is C5H12Cl3NO.
What is the molecular weight of Mechlorethamine Oxide Hydrochloride?
The molecular weight of Mechlorethamine Oxide Hydrochloride is 207.00 g/mol.
Where can I buy Mechlorethamine Oxide Hydrochloride?
You can request a quote for Mechlorethamine Oxide Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mechlorethamine Oxide Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Mechlorethamine Oxide Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.