CAS RN: 13808-64-5
4-Bromo-3-methylpyrazole
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250617 | 100g | In stock | Shanghai, Tianjin, Chengdu | Inquiry |
| Batchno.20260624 | 10g | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20260629 | 25g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250101 | 500g | In stock | Shanghai | Inquiry |
| Batchno.20260514 | 5g | In stock | Shanghai, Shenzhen | Inquiry |
- Product code: SSC-048075
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: 1g, 5g, 10g, 100g, 25g, 500g, 1000g
- Available purity: >97%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 5g | >97% | 5 In Stock | Shanghai | Inquiry |
| 10g | >97% | 5 In Stock | Shanghai | Inquiry |
| 100g | >97% | 4 In Stock | Shenzhen | Inquiry |
| 25g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
| 500g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
| 1000g | >97% | 0 Out of Stock | Shenzhen | Inquiry |
13808-64-5 / 4-bromo-5-methyl-1H-pyrazole
Basic Information
CAS
13808-64-5
Multi CAS
No
Molecular Formula
C4H5BrN2
Molecular Weight
161.000000
Exact Mass
159.963610
SMILES
CC1=C(C=NN1)Br
InChI
InChI=1S/C4H5BrN2/c1-3-4(5)2-6-7-3/h2H,1H3,(H,6,7)
InChIKey
IXQPRETWBGVNPJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Aromatic heavy atom count
5
Fraction Csp3
0.25
H-bond acceptors
1
H-bond donors
1
Molar refractivity
31.02
TPSA
28.68
LogP / Solubility
WLOGP
1.48
MLOGP
1.3
XLogP3
1.3
Consensus LogP
1.36
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.94
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)
-2.65
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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