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CAS 1612173-68-8 1-(Ethylsulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole molecular structure lightbox
CAS RN: 1612173-68-8

1-(Ethylsulfonyl)-4-(4,4,5,5-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.20250414 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-068914
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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: ＞97%
  • 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 1612173-68-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1612173-68-8 / 1-ethylsulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

Standard CAS: 1612173-68-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1612173-68-8
Multi CAS
No
Molecular Formula
C11H19BN2O4S
Molecular Weight
286.160000
Exact Mass
286.115858
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)S(=O)(=O)CC
InChI
InChI=1S/C11H19BN2O4S/c1-6-19(15,16)14-8-9(7-13-14)12-17-10(2,3)11(4,5)18-12/h7-8H,6H2,1-5H3
InChIKey
OFPXYHDUQSEHTJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
5
Fraction Csp3
0.73
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
72.8
TPSA
70.42

LogP / Solubility

WLOGP
0.38
MLOGP
0.34
XLogP3
0.38
Consensus LogP
0.37
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.2
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)
-4.2

Drug-likeness / Medicinal Chemistry

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

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