[email protected]
CAS 103596-43-6 4-fluorodeprenyl molecular structure lightbox
CAS RN: 103596-43-6

4-fluorodeprenyl

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260206 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS103596-43-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

103596-43-6 / 1-(4-fluorophenyl)-N-methyl-N-prop-2-ynylpropan-2-amine

4-Fluorodeprenyl | RefChem:99015 | (R)-(-)-4-Fluorodeprenyl

Standard CAS: 103596-43-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
103596-43-6
Multi CAS
Yes
Molecular Formula
C13H16FN
Molecular Weight
205.270000
Exact Mass
205.126678
SMILES
CC(CC1=CC=C(C=C1)F)N(C)CC#C
InChI
InChI=1S/C13H16FN/c1-4-9-15(3)11(2)10-12-5-7-13(14)8-6-12/h1,5-8,11H,9-10H2,2-3H3
InChIKey
MUDUXRHPVDVWHU-UHFFFAOYSA-N
Synonyms
4-Fluorodeprenyl RefChem:99015 (R)-(-)-4-Fluorodeprenyl 1-(4-fluorophenyl)-N-methyl-N-prop-2-ynylpropan-2-amine PV4SHR2L8J

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
61.03
TPSA
3.24

LogP / Solubility

WLOGP
2.32
MLOGP
2.04
XLogP3
2.9
Consensus LogP
2.42
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.4
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us