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CAS 1339886-04-2 (R)-1-(2,3-DIFLUOROPHENYL)ETHANAMINE molecular structure lightbox
CAS RN: 1339886-04-2

(R)-1-(2,3-DIFLUOROPHENYL)ETHANAMINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250317 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1339886-04-2
  • Purity/Analytical Methods: >99.0%
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1339886-04-2 / (1R)-1-(2,3-difluorophenyl)ethanamine

Standard CAS: 1339886-04-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1339886-04-2
Multi CAS
No
Molecular Formula
C8H9F2N
Molecular Weight
157.160000
Exact Mass
157.070306
SMILES
C[C@H](C1=C(C(=CC=C1)F)F)N
InChI
InChI=1S/C8H9F2N/c1-5(11)6-3-2-4-7(9)8(6)10/h2-5H,11H2,1H3/t5-/m1/s1
InChIKey
KETZXWRRCDXDFT-RXMQYKEDSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.96
TPSA
26.02

LogP / Solubility

WLOGP
1.98
MLOGP
1.74
XLogP3
1.4
Consensus LogP
1.71
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.45
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)
-2.27

Drug-likeness / Medicinal Chemistry

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

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