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CAS 1095080-54-8 1-Ethylpyrazole-5-boronic Acid molecular structure lightbox
CAS RN: 1095080-54-8

1-Ethylpyrazole-5-boronic Acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250807 250mg / 1g / 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: SSC-010899
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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, 1g, 5g, 10g
  • 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 1095080-54-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 0 Out of Stock Shenzhen Inquiry
1g >95% 0 Out of Stock Beijing Inquiry
5g >95% 0 Out of Stock Hong Kong Inquiry
10g >95% 0 Out of Stock Shanghai Inquiry

1095080-54-8 / (2-ethylpyrazol-3-yl)boronic acid

1,3-Dimethylpyrazole-5-boronic acid | DTXSID00460064 | RefChem:218790

Standard CAS: 1095080-54-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1095080-54-8
Multi CAS
Yes
Molecular Formula
C5H9BN2O2
Molecular Weight
139.950000
Exact Mass
140.075708
SMILES
B(C1=CC=NN1CC)(O)O
InChI
InChI=1S/C5H9BN2O2/c1-2-8-5(6(9)10)3-4-7-8/h3-4,9-10H,2H2,1H3
InChIKey
ZMKALWZRSCXBEY-UHFFFAOYSA-N
Synonyms
1,3-Dimethylpyrazole-5-boronic acid DTXSID00460064 RefChem:218790 DTXCID60410883 800-455-2

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
37.73
TPSA
58.28

LogP / Solubility

WLOGP
-1.42
MLOGP
-1.25
XLogP3
-1.42
Consensus LogP
-1.36
Log S (ESOL)
-0.05
Class (ESOL)
Very soluble
Log S (Ali)
0.32
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.37
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.58

Drug-likeness / Medicinal Chemistry

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

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