![CAS 114040-06-1 3-Bromo-5,7-dichloropyrazolo[1,5-a]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/114040-06-1.png)
CAS RN: 114040-06-1
3-Bromo-5,7-dichloropyrazolo[1,5-a]pyrimidine
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250927 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20250202 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250806 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
| Batchno.20250123 | 1g | In stock | Shanghai, Shenzhen, Wuhan, Chengdu | Inquiry |
| Batchno.20260606 | 250mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20250906 | 25g | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20251203 | 5g | In stock | Shanghai, Shenzhen, Wuhan | Inquiry |
- Product code: SSC-013935
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, 5g, 10g, 25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
114040-06-1 / 3-bromo-5,7-dichloropyrazolo[1,5-a]pyrimidine
3-bromo-5,7-dichloropyrazolo[1,5-a]pyrimidine | Pyrazolo[1,5-a]pyrimidine, 3-bromo-5,7-dichloro- | 3-bromo-5,7-dichloro-pyrazolo[1,5-a]pyrimidine
Basic Information
CAS
114040-06-1
Multi CAS
No
Molecular Formula
C6H2BrCl2N3
Molecular Weight
266.910000
Exact Mass
264.880920
SMILES
C1=C(N2C(=C(C=N2)Br)N=C1Cl)Cl
InChI
InChI=1S/C6H2BrCl2N3/c7-3-2-10-12-5(9)1-4(8)11-6(3)12/h1-2H
InChIKey
CJIKMWXLGRVJMI-UHFFFAOYSA-N
Synonyms
3-bromo-5,7-dichloropyrazolo[1,5-a]pyrimidine
Pyrazolo[1,5-a]pyrimidine, 3-bromo-5,7-dichloro-
3-bromo-5,7-dichloro-pyrazolo[1,5-a]pyrimidine
MFCD11112133
3-Bromo-5,7-dichloropyrazolo(1,5-a)pyrimidine
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
50.71
TPSA
30.19
LogP / Solubility
WLOGP
2.8
MLOGP
2.47
XLogP3
2.9
Consensus LogP
2.72
Log S (ESOL)
-3.81
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.72
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
