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CAS 1213045-95-4 (1S)-1-(5-FLUORO(3-PYRIDYL))ETHYLAMINE molecular structure lightbox
CAS RN: 1213045-95-4

(1S)-1-(5-FLUORO(3-PYRIDYL))ETHYLAMINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250208 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-023197
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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 1213045-95-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1213045-95-4 / (1S)-1-(5-fluoro-3-pyridinyl)ethanamine

1-(5-fluoropyridin-3-yl)ethan-1-amine | RefChem:426489 | 844-772-4

Standard CAS: 1213045-95-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1213045-95-4
Multi CAS
Yes
Molecular Formula
C7H9FN2
Molecular Weight
140.160000
Exact Mass
140.074976
SMILES
C[C@@H](C1=CC(=CN=C1)F)N
InChI
InChI=1S/C7H9FN2/c1-5(9)6-2-7(8)4-10-3-6/h2-5H,9H2,1H3/t5-/m0/s1
InChIKey
KTESVPWZFNAFOU-YFKPBYRVSA-N
Synonyms
1-(5-fluoropyridin-3-yl)ethan-1-amine RefChem:426489 844-772-4 1-(5-Fluoropyridin-3-yl)ethanamine 1-(5-Fluoro-3-pyridyl)ethanamine

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
36.8
TPSA
38.91

LogP / Solubility

WLOGP
1.24
MLOGP
1.08
XLogP3
0.2
Consensus LogP
0.84
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-1.6
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.72
Class (SILICOS-IT)
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)
-2.69

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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