![CAS 798574-82-0 3-bromo-7-chlorothieno[3,2-b]pyridine-6-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/798574-82-0.gif)
CAS RN: 798574-82-0
3-bromo-7-chlorothieno[3,2-b]pyridine-6-carbonitrile
- Product code: SSC-188896
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 | Shenzhen | Inquiry |
798574-82-0 / 3-bromo-7-chlorothieno[3,2-b]pyridine-6-carbonitrile
Basic Information
CAS
798574-82-0
Multi CAS
No
Molecular Formula
C8H2BRCLN2S
Molecular Weight
273.540000
Exact Mass
271.881060
InChI
InChI=1S/C8H2BrClN2S/c9-5-3-13-8-6(10)4(1-11)2-12-7(5)8/h2-3H
InChIKey
FUKLHGNGWZUKFH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
57.05
TPSA
36.68
LogP / Solubility
WLOGP
3.58
MLOGP
3.16
XLogP3
3
Consensus LogP
3.25
Log S (ESOL)
-4.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.41
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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