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CAS 473733-16-3 (R)-1-(3,5-DIFLUOROPHENYL)PROPAN-1-AMINE-HCl molecular structure lightbox
CAS RN: 473733-16-3

(R)-1-(3,5-DIFLUOROPHENYL)PROPAN-1-AMINE-HCl

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250115 200mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS473733-16-3
  • Purity/Analytical Methods: >99.0%
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473733-16-3 / 1-(3,5-difluorophenyl)propan-1-amine

Standard CAS: 473733-16-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
473733-16-3
Multi CAS
Yes
Molecular Formula
C9F2H11N
Molecular Weight
171.190000
Exact Mass
171.085956
InChI
InChI=1S/C9H11F2N/c1-2-9(12)6-3-7(10)5-8(11)4-6/h3-5,9H,2,12H2,1H3
InChIKey
PFFDHDIEJYLKMD-UHFFFAOYSA-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

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