Mitoclomine
TL;DR: Mitoclomine (CAS 17692-54-5) is a chemical compound with molecular formula C16H19Cl2NO and molecular weight 311.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-chloroethyl)-4-methoxy-3-methylnaphthalen-1-amine
Also Known As: Mitoclomine, Mitoclomina, Mitoclominum, Mitoclomina [INN-Spanish], Mitoclomine [INN:BAN]
| Molecular Formula | C16H19Cl2NO |
|---|---|
| Molecular Weight | 311.08 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 311.08438 |
| Heavy Atoms | 20 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 17692-54-5 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2C(=C1)N(CCCl)CCCl)OC |
| InChIKey | CLZXREZAEIUCGG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Mitoclomine (CAS 17692-54-5), with molecular formula C16H19Cl2NO and molecular weight 311.08 g/mol. IUPAC: N,N-bis(2-chloroethyl)-4-methoxy-3-methylnaphthalen-1-amine.
Chemical Property Profile of Mitoclomine
Property Insights of Mitoclomine
The XLogP value of 4.8 indicates that Mitoclomine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, Mitoclomine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Mitoclomine has 0 hydrogen bond donor(s) and 2 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 Mitoclomine?
The CAS number of Mitoclomine is 17692-54-5.
What is the molecular formula of Mitoclomine?
The molecular formula of Mitoclomine is C16H19Cl2NO.
What is the molecular weight of Mitoclomine?
The molecular weight of Mitoclomine is 311.08 g/mol.
Where can I buy Mitoclomine?
You can request a quote for Mitoclomine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mitoclomine?
Yes, KEHONG BIO provides custom synthesis services for Mitoclomine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.