Mapenterol
TL;DR: Mapenterol (CAS 95656-68-1) is a chemical compound with molecular formula C14H20ClF3N2O and molecular weight 324.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(2-methylbutan-2-ylamino)ethanol
Also Known As: Mapenterol, Mapenterol (hydrochloride), 1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(2-methylbutan-2-ylamino)ethanol, MSK1379-100M, MSK1379-1000M
| Molecular Formula | C14H20ClF3N2O |
|---|---|
| Molecular Weight | 324.12 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 58.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.1216 |
| Heavy Atoms | 21 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 95656-68-1 |
|---|---|
| SMILES | CCC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)C(F)(F)F)O |
| InChIKey | KGOIKOVSEVRHNH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Mapenterol (CAS 95656-68-1), with molecular formula C14H20ClF3N2O and molecular weight 324.12 g/mol. IUPAC: 1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(2-methylbutan-2-ylamino)ethanol.
Chemical Property Profile of Mapenterol
Property Insights of Mapenterol
The XLogP value of 3.0 indicates that Mapenterol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.3 Ų, Mapenterol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Mapenterol has 3 hydrogen bond donor(s) and 6 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 Mapenterol?
The CAS number of Mapenterol is 95656-68-1.
What is the molecular formula of Mapenterol?
The molecular formula of Mapenterol is C14H20ClF3N2O.
What is the molecular weight of Mapenterol?
The molecular weight of Mapenterol is 324.12 g/mol.
Where can I buy Mapenterol?
You can request a quote for Mapenterol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mapenterol?
Yes, KEHONG BIO provides custom synthesis services for Mapenterol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.