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CAS 199003-22-0 1-Boc-4-(hydroxyMethyl)pyrazole molecular structure lightbox
CAS RN: 199003-22-0

1-Boc-4-(hydroxyMethyl)pyrazole

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260428 100mg In stock Shanghai Inquiry
Batchno.20250117 10g In stock Shanghai, Tianjin Inquiry
Batchno.20250825 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250324 250mg In stock Shanghai Inquiry
Batchno.20250113 25g In stock Shanghai Inquiry
Batchno.20260206 5g In stock Shanghai Inquiry
  • Product code: SSC-093745
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 199003-22-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Hong Kong Inquiry
0.25g >97% 1 In Stock Beijing Inquiry
1g >97% 0 Out of Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry

199003-22-0 / tert-butyl 4-(hydroxymethyl)pyrazole-1-carboxylate

Standard CAS: 199003-22-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
199003-22-0
Multi CAS
No
Molecular Formula
C9H14N2O3
Molecular Weight
198.220000
Exact Mass
198.100442
SMILES
CC(C)(C)OC(=O)N1C=C(C=N1)CO
InChI
InChI=1S/C9H14N2O3/c1-9(2,3)14-8(13)11-5-7(6-12)4-10-11/h4-5,12H,6H2,1-3H3
InChIKey
CIPRBVVWJSJWBE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.56
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
49.78
TPSA
64.35

LogP / Solubility

WLOGP
1.16
MLOGP
1.02
XLogP3
0.6
Consensus LogP
0.93
Log S (ESOL)
-2
Class (ESOL)
Soluble
Log S (Ali)
-2.02
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.03
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)
-3.11

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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