Reconcile
TL;DR: Reconcile (CAS 56296-78-7) is a chemical compound with molecular formula C17H19ClF3NO and molecular weight 345.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride
Also Known As: FLUOXETINE HYDROCHLORIDE, Fluoxetine Hcl, Prozac, Fluctin, Sarafem
| Molecular Formula | C17H19ClF3NO |
|---|---|
| Molecular Weight | 345.11 g/mol |
| LogP | 4.86 |
| Topological Polar Surface Area | 21.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 345.11072 |
| Heavy Atoms | 23 |
| Complexity | 308.0 |
| Melting Point | 158.4-158.9 °C |
| Solubility | Sol (mg/mL): methanol, ethanol >100; acetone, acetonitrile, chloroform 33-100; dichloromethane 5-10; ethyl acetate 2-2.5; toluene, cyclohexane, hexane 0.5-0.67 |
Chemical Identifiers
| CAS Number | 56296-78-7 |
|---|---|
| SMILES | CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F.Cl |
| InChIKey | GIYXAJPCNFJEHY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Reconcile (CAS 56296-78-7), with molecular formula C17H19ClF3NO and molecular weight 345.11 g/mol. IUPAC: N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride.
Chemical Property Profile of Reconcile
Property Insights of Reconcile
The XLogP value of 4.86 indicates that Reconcile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.3 Ų, Reconcile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Reconcile has 2 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 Reconcile?
The CAS number of Reconcile is 56296-78-7.
What is the molecular formula of Reconcile?
The molecular formula of Reconcile is C17H19ClF3NO.
What is the molecular weight of Reconcile?
The molecular weight of Reconcile is 345.11 g/mol.
Where can I buy Reconcile?
You can request a quote for Reconcile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Reconcile?
Yes, KEHONG BIO provides custom synthesis services for Reconcile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.