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CAS 1980023-97-9 (S)-1-(6-(4-Fluoro-1H-pyrazol-1-yl)pyridin-3-yl)ethanamine dihydrochloride molecular structure lightbox
CAS RN: 1980023-97-9

(S)-1-(6-(4-Fluoro-1H-pyrazol-1-yl)pyridin-3-yl)ethanamine dihydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260611 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-093334
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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 1980023-97-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1980023-97-9 / (1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine;dihydrochloride

Standard CAS: 1980023-97-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1980023-97-9
Multi CAS
No
Molecular Formula
C10H13Cl2FN4
Molecular Weight
279.140000
Exact Mass
278.050130
SMILES
C[C@@H](C1=CN=C(C=C1)N2C=C(C=N2)F)N.Cl.Cl
InChI
InChI=1S/C10H11FN4.2ClH/c1-7(12)8-2-3-10(13-4-8)15-6-9(11)5-14-15;;/h2-7H,12H2,1H3;2*1H/t7-;;/m0../s1
InChIKey
FFJXYYVMNJUPEN-KLXURFKVSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
68.42
TPSA
56.73

LogP / Solubility

WLOGP
2.27
MLOGP
2.01
XLogP3
2.27
Consensus LogP
2.18
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.49
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.6
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.81

Drug-likeness / Medicinal Chemistry

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

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