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CAS 1100095-25-7 B-[3-(1H-pyrazol-3-yl)phenyl]boronic acid molecular structure lightbox
CAS RN: 1100095-25-7

B-[3-(1H-pyrazol-3-yl)phenyl]boronic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250703 100mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-011279
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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 1100095-25-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1100095-25-7 / [3-(1H-pyrazol-5-yl)phenyl]boronic acid

[3-(1H-pyrazol-3-yl)phenyl]boronic acid | [3-(1H-pyrazol-5-yl)phenyl]boronic acid | (3-(1H-Pyrazol-3-yl)phenyl)boronic acid

Standard CAS: 1100095-25-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1100095-25-7
Multi CAS
Yes
Molecular Formula
C9H9BN2O2
Molecular Weight
187.990000
Exact Mass
188.075708
SMILES
B(C1=CC(=CC=C1)C2=CC=NN2)(O)O
InChI
InChI=1S/C9H9BN2O2/c13-10(14)8-3-1-2-7(6-8)9-4-5-11-12-9/h1-6,13-14H,(H,11,12)
InChIKey
VRRAGHYTEHJUTF-UHFFFAOYSA-N
Synonyms
[3-(1H-pyrazol-3-yl)phenyl]boronic acid [3-(1H-pyrazol-5-yl)phenyl]boronic acid (3-(1H-Pyrazol-3-yl)phenyl)boronic acid (3-(1H-Pyrazol-5-yl)phenyl)boronic acid 3-(1H-pyrazol-3-yl)phenylboronic acid

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
53.85
TPSA
69.14

LogP / Solubility

WLOGP
-0.24
MLOGP
-0.22
XLogP3
-0.24
Consensus LogP
-0.23
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-0.93
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.92
Class (SILICOS-IT)
Very 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)
-4.04

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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