[email protected]
CAS 1072945-88-0 1-(3-Chlorophenyl)pyrazole-4-boronic acid molecular structure lightbox
CAS RN: 1072945-88-0

1-(3-Chlorophenyl)pyrazole-4-boronic acid

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251015 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20251109 1g In stock Shanghai Inquiry
Batchno.20260309 250mg In stock Shanghai Inquiry
Batchno.20250930 5g In stock Shanghai Inquiry
  • Product code: SSC-008784
GET A QUOTE
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: ＞95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1072945-88-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

1072945-88-0 / [1-(3-chlorophenyl)pyrazol-4-yl]boronic acid

1-(3-CHLOROPHENYL)PYRAZOLE-4-BORONIC ACID | RefChem:423704 | 800-636-6

Standard CAS: 1072945-88-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1072945-88-0
Multi CAS
No
Molecular Formula
C9H8BClN2O2
Molecular Weight
222.440000
Exact Mass
222.036735
SMILES
B(C1=CN(N=C1)C2=CC(=CC=C2)Cl)(O)O
InChI
InChI=1S/C9H8BClN2O2/c11-8-2-1-3-9(4-8)13-6-7(5-12-13)10(14)15/h1-6,14-15H
InChIKey
QQIIJLJSZUIAKB-UHFFFAOYSA-N
Synonyms
1-(3-CHLOROPHENYL)PYRAZOLE-4-BORONIC ACID RefChem:423704 800-636-6 (1-(3-Chlorophenyl)-1H-pyrazol-4-yl)boronic acid [1-(3-chlorophenyl)pyrazol-4-yl]boronic acid

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
58.4
TPSA
58.28

LogP / Solubility

WLOGP
0.21
MLOGP
0.18
XLogP3
0.21
Consensus LogP
0.2
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.52
Class (SILICOS-IT)
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)
-3.93

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] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P271, P280, P302+P352, P304+P340, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us