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CAS 2613434-30-1 Cyclopropyl(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)methanone molecular structure lightbox
CAS RN: 2613434-30-1

Cyclopropyl(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)methanone

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250712 100mg In stock Shanghai Inquiry
  • Product code: SSC-123087
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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: 0.25g
  • Available purity: ≥95%
  • 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 2613434-30-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

2613434-30-1 / cyclopropyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methanone

Standard CAS: 2613434-30-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2613434-30-1
Multi CAS
No
Molecular Formula
C13H19BN2O3
Molecular Weight
262.110000
Exact Mass
262.148873
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C(=O)C3CC3
InChI
InChI=1S/C13H19BN2O3/c1-12(2)13(3,4)19-14(18-12)10-7-15-16(8-10)11(17)9-5-6-9/h7-9H,5-6H2,1-4H3
InChIKey
IIARANPWYIXKAI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
5
Fraction Csp3
0.69
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
71.29
TPSA
53.35

LogP / Solubility

WLOGP
1.23
MLOGP
1.09
XLogP3
1.23
Consensus LogP
1.18
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
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)
-3.44

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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