CAS RN: 1196155-22-2
4-bromo-2-ethynylpyridine
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250126 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-020255
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: ＞97%
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
1196155-22-2 / 4-bromo-2-ethynylpyridine
4-bromo-2-ethynylpyridine | Pyridine, 4-bromo-2-ethynyl- | MFCD13189721
Basic Information
CAS
1196155-22-2
Multi CAS
No
Molecular Formula
C7H4BrN
Molecular Weight
182.020000
Exact Mass
180.952710
SMILES
C#CC1=NC=CC(=C1)Br
InChI
InChI=1S/C7H4BrN/c1-2-7-5-6(8)3-4-9-7/h1,3-5H
InChIKey
IHWUEWABOVLRAW-UHFFFAOYSA-N
Synonyms
4-bromo-2-ethynylpyridine
Pyridine, 4-bromo-2-ethynyl-
MFCD13189721
4-bromo-2-ethynyl-pyridine
SCHEMBL5700514
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
39.87
TPSA
12.89
LogP / Solubility
WLOGP
1.83
MLOGP
1.6
XLogP3
1.8
Consensus LogP
1.74
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
Class (SILICOS-IT)
Moderately 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)
-2.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
2-chloro-6-(trifluoromethyl)isonicotinonitrile
- CAS RN: 1196155-38-0
- Product Code: SSC-020259
-
3-BroMo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
- CAS RN: 1196155-47-1
- Product Code: SSC-020260
-
![CAS 1196155-47-1 3-BroMo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1196155-47-1.gif)
