![CAS 29064-82-2 3-BROMO-4-CHLOROTHIENO[3,2-C]PYRIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB5449945.gif)
CAS RN: 29064-82-2
3-BROMO-4-CHLOROTHIENO[3,2-C]PYRIDINE
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-131276
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: ≥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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
29064-82-2 / 3-bromo-4-chlorothieno[3,2-c]pyridine
Basic Information
CAS
29064-82-2
Multi CAS
No
Molecular Formula
C7H3BRCLNS
Molecular Weight
248.530000
Exact Mass
246.885810
InChI
InChI=1S/C7H3BrClNS/c8-4-3-11-5-1-2-10-7(9)6(4)5/h1-3H
InChIKey
FXIKIVFBAQCMRY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
2
Molar refractivity
52.33
TPSA
12.89
LogP / Solubility
WLOGP
3.71
MLOGP
3.27
XLogP3
3.5
Consensus LogP
3.49
Log S (ESOL)
-4.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.36
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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