[email protected]
CAS 111627-29-3 4-[Bis(4-fluorophenyl)methylene]piperidinehydrobromide molecular structure lightbox
CAS RN: 111627-29-3

4-[Bis(4-fluorophenyl)methylene]piperidinehydrobromide

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250611 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS111627-29-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

111627-29-3 / 4-[bis(4-fluorophenyl)methylidene]piperidine;hydrobromide

4-[Bis(4-Fluorophenyl)methylene]piperidine hydrobromide | 4-[BIS(4-FLUOROPHENYL)METHYLENE]PIPERIDINEHYDROBROMIDE | MFCD02093809

Standard CAS: 111627-29-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
111627-29-3
Multi CAS
No
Molecular Formula
C18H18BrF2N
Molecular Weight
366.200000
Exact Mass
365.059070
SMILES
C1CNCCC1=C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F.Br
InChI
InChI=1S/C18H17F2N.BrH/c19-16-5-1-13(2-6-16)18(15-9-11-21-12-10-15)14-3-7-17(20)8-4-14;/h1-8,21H,9-12H2;1H
InChIKey
QYGTZLORLCADEX-UHFFFAOYSA-N
Synonyms
4-[Bis(4-Fluorophenyl)methylene]piperidine hydrobromide 4-[BIS(4-FLUOROPHENYL)METHYLENE]PIPERIDINEHYDROBROMIDE MFCD02093809 4-[Bis(4-Fluorophenyl)methylene]-piperidine hydrobromide 4-[bis(4-fluorophenyl)methylidene]piperidine;hydrobromide

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
91.25
TPSA
12.03

LogP / Solubility

WLOGP
4.73
MLOGP
4.18
XLogP3
4.73
Consensus LogP
4.55
Log S (ESOL)
-5.36
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.98
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.2
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us