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CAS 1680192-52-2 5-amino-1H-pyrazol-3-ol molecular structure lightbox
CAS RN: 1680192-52-2

5-amino-1H-pyrazol-3-ol

  • Product code: SSC-073278
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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 1680192-52-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1680192-52-2 / 7-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-one

Standard CAS: 1680192-52-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1680192-52-2
Multi CAS
No
Molecular Formula
C15H22O2Si
Molecular Weight
262.420000
Exact Mass
262.138906
SMILES
CC(C)(C)[Si](C)(C)OC1=CC=CC2=C1C(=O)CC2
InChI
InChI=1S/C15H22O2Si/c1-15(2,3)18(4,5)17-13-8-6-7-11-9-10-12(16)14(11)13/h6-8H,9-10H2,1-5H3
InChIKey
KTWABKRZEHGTDS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
76.92
TPSA
26.3

LogP / Solubility

WLOGP
4.2
MLOGP
3.7
XLogP3
4.2
Consensus LogP
4.03
Log S (ESOL)
-4.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.09
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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