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CAS 1257535-26-4 (3-fluoropyridin-4-yl)MethanaMine dihydrochloride molecular structure lightbox
CAS RN: 1257535-26-4

(3-fluoropyridin-4-yl)MethanaMine dihydrochloride

  • Product code: SSC-031026
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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: ＞97%
  • 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 1257535-26-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1257535-26-4 / (3-fluoro-4-pyridinyl)methanamine;dihydrochloride

Standard CAS: 1257535-26-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1257535-26-4
Multi CAS
No
Molecular Formula
C6H9Cl2FN2
Molecular Weight
199.050000
Exact Mass
198.012682
SMILES
C1=CN=CC(=C1CN)F.Cl.Cl
InChI
InChI=1S/C6H7FN2.2ClH/c7-6-4-9-2-1-5(6)3-8;;/h1-2,4H,3,8H2;2*1H
InChIKey
CXMPAHTZXHXCHL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.58
TPSA
38.91

LogP / Solubility

WLOGP
1.52
MLOGP
1.34
XLogP3
1.52
Consensus LogP
1.46
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
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)
-2.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

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