[email protected]
CAS 1150271-23-0 1-Boc-4-bromopyrazole molecular structure lightbox
CAS RN: 1150271-23-0

1-Boc-4-bromopyrazole

  • Product code: SSC-014734
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 10g, 100g, 25g, 1g, 500g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1150271-23-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 5 In Stock Hong Kong Inquiry
10g >97% 5 In Stock Beijing Inquiry
100g >97% 5 In Stock Shanghai Inquiry
25g >97% 4 In Stock Shenzhen Inquiry
1g >97% 2 In Stock Beijing Inquiry
500g >97% 0 Out of Stock Beijing Inquiry

1150271-23-0 / tert-butyl 4-bromopyrazole-1-carboxylate

1-Boc-4-bromopyrazole | RefChem:430096 | 693-330-5

Standard CAS: 1150271-23-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1150271-23-0
Multi CAS
Yes
Molecular Formula
C8H11BrN2O2
Molecular Weight
247.090000
Exact Mass
246.000390
SMILES
CC(C)(C)OC(=O)N1C=C(C=N1)Br
InChI
InChI=1S/C8H11BrN2O2/c1-8(2,3)13-7(12)11-5-6(9)4-10-11/h4-5H,1-3H3
InChIKey
IQEFCRDQVLIADR-UHFFFAOYSA-N
Synonyms
1-Boc-4-bromopyrazole RefChem:430096 693-330-5 tert-Butyl 4-Bromo-1H-pyrazole-1-carboxylate MFCD09999163

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
51.56
TPSA
44.12

LogP / Solubility

WLOGP
2.43
MLOGP
2.14
XLogP3
2.2
Consensus LogP
2.26
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
Class (SILICOS-IT)
Poorly 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)
-2.5

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

Customers Also Viewed

Get In Touch

Contact Us