CM 57493
TL;DR: CM 57493 (CAS 90005-77-9) is a chemical compound with molecular formula C15H15F3N2 and molecular weight 280.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]propanenitrile
Also Known As: CM 57493, 2-CYCLOPENTYLETHYL CHLORIDE, KST-1B9106, 4-(3-Trifluoromethylphenyl)-1-(2-cyanoethyl)-1,2,3,6-tetrahydropyridine hcl, 1(2h)-pyridinepropanenitrile,3,6-dihydro-4-(3-(trifluoromethyl)phenyl)-
| Molecular Formula | C15H15F3N2 |
|---|---|
| Molecular Weight | 280.12 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.11874 |
| Heavy Atoms | 20 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 90005-77-9 |
|---|---|
| SMILES | C1CN(CC=C1C2=CC(=CC=C2)C(F)(F)F)CCC#N |
| InChIKey | XVBCZSYHUGVSIB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
CM 57493 (CAS 90005-77-9), with molecular formula C15H15F3N2 and molecular weight 280.12 g/mol. IUPAC: 3-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]propanenitrile.
Chemical Property Profile of CM 57493
Property Insights of CM 57493
The XLogP value of 3.4 indicates that CM 57493 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.0 Ų, CM 57493 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CM 57493 has 0 hydrogen bond donor(s) and 5 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 CM 57493?
The CAS number of CM 57493 is 90005-77-9.
What is the molecular formula of CM 57493?
The molecular formula of CM 57493 is C15H15F3N2.
What is the molecular weight of CM 57493?
The molecular weight of CM 57493 is 280.12 g/mol.
Where can I buy CM 57493?
You can request a quote for CM 57493 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CM 57493?
Yes, KEHONG BIO provides custom synthesis services for CM 57493 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.