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CAS 905587-29-3 (S)-1-(5-Fluoro-pyrimidin-2-yl)-ethylamine molecular structure lightbox
CAS RN: 905587-29-3

(S)-1-(5-Fluoro-pyrimidin-2-yl)-ethylamine

  • Product code: SSC-203087
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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 905587-29-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

905587-29-3 / 1-(5-fluoropyrimidin-2-yl)ethanamine

Standard CAS: 905587-29-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
905587-29-3
Multi CAS
Yes
Molecular Formula
C6FH8N3
Molecular Weight
141.150000
Exact Mass
141.070225
InChI
InChI=1S/C6H8FN3/c1-4(8)6-9-2-5(7)3-10-6/h2-4H,8H2,1H3
InChIKey
AHCHUPFJXHQIRC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
34.59
TPSA
51.8

LogP / Solubility

WLOGP
0.64
MLOGP
0.55
XLogP3
-0.4
Consensus LogP
0.26
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-1.18
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.22
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)
-3.13

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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