![CAS 31169-27-4 7-BROMO-4-CHLOROTHIENO[3,2-D]PYRIMIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/31169-27-4.gif)
CAS RN: 31169-27-4
7-BROMO-4-CHLOROTHIENO[3,2-D]PYRIMIDINE
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: SSC-136429
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
31169-27-4 / 7-bromo-4-chlorothieno[3,2-d]pyrimidine
Basic Information
CAS
31169-27-4
Multi CAS
Yes
Molecular Formula
C6H2BRCLN2S
Molecular Weight
249.520000
Exact Mass
247.881060
InChI
InChI=1S/C6H2BrClN2S/c7-3-1-11-5-4(3)9-2-10-6(5)8/h1-2H
InChIKey
LJFZDPZIIKOATA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
50.13
TPSA
25.78
LogP / Solubility
WLOGP
3.11
MLOGP
2.74
XLogP3
3
Consensus LogP
2.95
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.85
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.86
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)
-2.04
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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2-METHYL-5-(TRIFLUOROMETHYL)PYRIDINE
- CAS RN: 31181-54-1
- Product Code: starshine_CAS31181-54-1
- Purity/Analytical method: >99.0%
![CAS 31170-78-2 7H-CYCLOPENTA[B]PYRIDIN-7-ONE, 5,6-DIHYDRO- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/31170-78-2.gif)
