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CAS 1047644-76-7 1,4-DiMethyl-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole molecular structure lightbox
CAS RN: 1047644-76-7

1,4-DiMethyl-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

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6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250813 100mg In stock Inquiry
Batchno.20250311 1g In stock Inquiry
Batchno.20250831 250mg In stock Inquiry
Batchno.20250605 25g In stock Inquiry
Batchno.20250820 5g In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250616 250mg / 1g / 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: SSC-006497
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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: 0.25g, 1g, 10g, 5g, 25g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • 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 1047644-76-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 4 In Stock Hong Kong Inquiry
1g >95% 4 In Stock Shenzhen Inquiry
10g >95% 3 In Stock Shenzhen Inquiry
5g >95% 2 In Stock Shanghai Inquiry
25g >95% 2 In Stock Beijing Inquiry

1047644-76-7 / 1,4-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

1,4-dimethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole | RefChem:416867 | 833-162-3

Standard CAS: 1047644-76-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1047644-76-7
Multi CAS
Yes
Molecular Formula
C11H19BN2O2
Molecular Weight
222.090000
Exact Mass
222.153958
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=NN2C)C
InChI
InChI=1S/C11H19BN2O2/c1-8-7-13-14(6)9(8)12-15-10(2,3)11(4,5)16-12/h7H,1-6H3
InChIKey
NOZSCXDKBYFTBH-UHFFFAOYSA-N
Synonyms
1,4-dimethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole RefChem:416867 833-162-3 1,4-Dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole 1,4-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.73
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
63.66
TPSA
36.28

LogP / Solubility

WLOGP
1.03
MLOGP
0.91
XLogP3
1.03
Consensus LogP
0.99
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.08
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)
-3.35

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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