![CAS 83548-58-7 4-CHLORO-2,5,6-TRIMETHYLTHIENO[2,3-D]PYRIMIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/83548-58-7.gif)
CAS RN: 83548-58-7
4-CHLORO-2,5,6-TRIMETHYLTHIENO[2,3-D]PYRIMIDINE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260406 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS83548-58-7
- Purity/Analytical Methods: >99.0%
83548-58-7 / 4-chloro-2,5,6-trimethylthieno[2,3-d]pyrimidine
Basic Information
CAS
83548-58-7
Multi CAS
Yes
Molecular Formula
C9H9CLN2S
Molecular Weight
212.700000
Exact Mass
212.017497
InChI
InChI=1S/C9H9ClN2S/c1-4-5(2)13-9-7(4)8(10)11-6(3)12-9/h1-3H3
InChIKey
HDOQGBZKVBVNLU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.33
H-bond acceptors
3
Molar refractivity
56.64
TPSA
25.78
LogP / Solubility
WLOGP
3.27
MLOGP
2.88
XLogP3
3.7
Consensus LogP
3.28
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.76
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)
-1.7
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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4-CHLORO-5,6-DIMETHYL-2-PHENYLTHIENO[2,3-D]PYRIMIDINE
- CAS RN: 83548-60-1
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- Purity/Analytical method: >99.0%
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