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CAS 1217456-32-0 (R)-1-(2-Chloro-5-fluorophenyl)ethanaMine hydrochloride molecular structure lightbox
CAS RN: 1217456-32-0

(R)-1-(2-Chloro-5-fluorophenyl)ethanaMine hydrochloride

  • Product code: SSC-024385
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1217456-32-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1217456-32-0 / (1R)-1-(2-chloro-5-fluorophenyl)ethanamine;hydrochloride

Standard CAS: 1217456-32-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1217456-32-0
Multi CAS
No
Molecular Formula
C8H10Cl2FN
Molecular Weight
210.070000
Exact Mass
209.017433
SMILES
C[C@H](C1=C(C=CC(=C1)F)Cl)N.Cl
InChI
InChI=1S/C8H9ClFN/c1-5(11)7-4-6(10)2-3-8(7)9/h2-5H,11H2,1H3/t5-/m1/s1
InChIKey
QCOOJFVYFYLDCA-RXMQYKEDSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
51.26
TPSA
26.02

LogP / Solubility

WLOGP
2.92
MLOGP
2.57
XLogP3
2.92
Consensus LogP
2.8
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.57
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)
-1.93

Drug-likeness / Medicinal Chemistry

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

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