[email protected]
CAS 1217444-93-3 (S)-1-(2,6-Difluorophenyl)propan-1-aMine hydrochloride molecular structure lightbox
CAS RN: 1217444-93-3

(S)-1-(2,6-Difluorophenyl)propan-1-aMine hydrochloride

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250214 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1217444-93-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1217444-93-3 / (1S)-1-(2,6-difluorophenyl)propan-1-amine

Standard CAS: 1217444-93-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1217444-93-3
Multi CAS
No
Molecular Formula
C9H11F2N
Molecular Weight
171.190000
Exact Mass
171.085956
SMILES
CC[C@@H](C1=C(C=CC=C1F)F)N
InChI
InChI=1S/C9H11F2N/c1-2-8(12)9-6(10)4-3-5-7(9)11/h3-5,8H,2,12H2,1H3/t8-/m0/s1
InChIKey
VSRWGHCFBHPUAU-QMMMGPOBSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
43.58
TPSA
26.02

LogP / Solubility

WLOGP
2.37
MLOGP
2.09
XLogP3
1.9
Consensus LogP
2.12
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
Class (SILICOS-IT)
Moderately 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)
-2.08

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us