[email protected]
CAS 1204334-20-2 3,5-Bis(trifluoromethyl)-1H-pyrazole-4-boronic acid, pinacol ester molecular structure lightbox
CAS RN: 1204334-20-2

3,5-Bis(trifluoromethyl)-1H-pyrazole-4-boronic acid, pinacol ester

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250418 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-021429
GET A QUOTE
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
Request Bulk Quote

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 1204334-20-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1204334-20-2 / 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,5-bis(trifluoromethyl)-1H-pyrazole

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3,5-bis(trifluoromethyl)-1H-pyrazole | 3,5-bis(Trifluoromethyl)-1h-pyrazole-4-boronic acid pinacol ester | DTXSID90672891

Standard CAS: 1204334-20-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1204334-20-2
Multi CAS
No
Molecular Formula
C11H13BF6N2O2
Molecular Weight
330.040000
Exact Mass
330.097427
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(NN=C2C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C11H13BF6N2O2/c1-8(2)9(3,4)22-12(21-8)5-6(10(13,14)15)19-20-7(5)11(16,17)18/h1-4H3,(H,19,20)
InChIKey
CLZOYAKINXVSHM-UHFFFAOYSA-N
Synonyms
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3,5-bis(trifluoromethyl)-1H-pyrazole 3,5-bis(Trifluoromethyl)-1h-pyrazole-4-boronic acid pinacol ester DTXSID90672891 RefChem:513454 DTXCID30623640

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
5
Fraction Csp3
0.73
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
64.31
TPSA
47.14

LogP / Solubility

WLOGP
2.75
MLOGP
2.43
XLogP3
2.75
Consensus LogP
2.64
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.2
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P316, P321, P330, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us