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CAS 1152858-54-2 5-Amino-1-(2-Fluorobenzyl… molecular structure lightbox
CAS RN: 1152858-54-2

5-Amino-1-(2-Fluorobenzyl…

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260129 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-015027
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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: 5g
  • 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 1152858-54-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

1152858-54-2 / 2-[(2-fluorophenyl)methyl]pyrazol-3-amine

5-AMINO-1-(2-FLUOROBENZYL)-1H-PYRAZOLE | 1-(2-Fluorobenzyl)-1H-pyrazol-5-amine | 1-[(2-FLUOROPHENYL)METHYL]-1H-PYRAZOL-5-AMINE

Standard CAS: 1152858-54-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1152858-54-2
Multi CAS
No
Molecular Formula
C10H10FN3
Molecular Weight
191.200000
Exact Mass
191.085875
SMILES
C1=CC=C(C(=C1)CN2C(=CC=N2)N)F
InChI
InChI=1S/C10H10FN3/c11-9-4-2-1-3-8(9)7-14-10(12)5-6-13-14/h1-6H,7,12H2
InChIKey
FAWKBOJEHYLCLI-UHFFFAOYSA-N
Synonyms
5-AMINO-1-(2-FLUOROBENZYL)-1H-PYRAZOLE 1-(2-Fluorobenzyl)-1H-pyrazol-5-amine 1-[(2-FLUOROPHENYL)METHYL]-1H-PYRAZOL-5-AMINE 2-[(2-fluorophenyl)methyl]pyrazol-3-amine MFCD09817041

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.14
TPSA
43.84

LogP / Solubility

WLOGP
1.65
MLOGP
1.45
XLogP3
1.6
Consensus LogP
1.57
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.71

Drug-likeness / Medicinal Chemistry

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

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