CAS RN: 1092683-57-2
4-bromo-1H-pyrazole-5-carboxylic acid(SALTDATA: FREE)
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260509 | 1g | In stock | Shanghai, Tianjin, Chengdu | Inquiry | |
| Batchno.20250616 | 250mg | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20251106 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250822 | 25g | Out of stock | Inquiry | ||
| Batchno.20260109 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1092683-57-2
- Purity/Analytical Methods: >99.0%
1092683-57-2 / 4-bromo-1H-pyrazole-5-carboxylic acid
4-bromo-1H-pyrazole-3-carboxylic acid | DTXSID20929800 | RefChem:519061
Basic Information
CAS
1092683-57-2
Multi CAS
No
Molecular Formula
C4H3BrN2O2
Molecular Weight
190.980000
Exact Mass
189.937790
SMILES
C1=NNC(=C1Br)C(=O)O
InChI
InChI=1S/C4H3BrN2O2/c5-2-1-6-7-3(2)4(8)9/h1H,(H,6,7)(H,8,9)
InChIKey
QISOBCMNUJQOJU-UHFFFAOYSA-N
Synonyms
4-bromo-1H-pyrazole-3-carboxylic acid
DTXSID20929800
RefChem:519061
DTXCID001358541
675-276-4
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
33.25
TPSA
65.98
LogP / Solubility
WLOGP
0.87
MLOGP
0.76
XLogP3
0.8
Consensus LogP
0.81
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.74
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)
-3.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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