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CAS 2173194-53-9 1-(difluoromethyl)-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole molecular structure lightbox
CAS RN: 2173194-53-9

1-(difluoromethyl)-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260108 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-104848
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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, 10g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • 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 2173194-53-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 2 In Stock Shenzhen Inquiry
0.1g >97% 2 In Stock Hong Kong Inquiry
0.25g -- 2 In Stock Hong Kong Inquiry
0.25g >97% 2 In Stock Shanghai Inquiry
1g -- 0 Out of Stock Beijing Inquiry
1g >97% 0 Out of Stock Shenzhen Inquiry
5g -- 0 Out of Stock Beijing Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry
10g -- 0 Out of Stock Shenzhen Inquiry
10g >97% 0 Out of Stock Hong Kong Inquiry

2173194-53-9 / 1-(difluoromethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

Standard CAS: 2173194-53-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2173194-53-9
Multi CAS
No
Molecular Formula
C10H15BF2N2O2
Molecular Weight
244.050000
Exact Mass
244.119464
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=NN(C=C2)C(F)F
InChI
InChI=1S/C10H15BF2N2O2/c1-9(2)10(3,4)17-11(16-9)7-5-6-15(14-7)8(12)13/h5-6,8H,1-4H3
InChIKey
CBGGJAGNGSVKHS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
5
Fraction Csp3
0.7
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
59.2
TPSA
36.28

LogP / Solubility

WLOGP
1.58
MLOGP
1.39
XLogP3
1.58
Consensus LogP
1.52
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
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)
-3.09

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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