![CAS 598298-10-3 4-Chloro-2-(methylthio)thieno[2,3-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/598298-10-3.gif)
CAS RN: 598298-10-3
4-Chloro-2-(methylthio)thieno[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.20260201 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS598298-10-3
- Purity/Analytical Methods: >99.0%
598298-10-3 / 4-chloro-2-methylsulfanylthieno[2,3-d]pyrimidine
Basic Information
CAS
598298-10-3
Multi CAS
No
Molecular Formula
C7H5CLN2S2
Molecular Weight
216.700000
Exact Mass
215.958268
InChI
InChI=1S/C7H5ClN2S2/c1-11-7-9-5(8)4-2-3-12-6(4)10-7/h2-3H,1H3
InChIKey
MPSIJWLMMVUKGB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
54.21
TPSA
25.78
LogP / Solubility
WLOGP
3.07
MLOGP
2.7
XLogP3
3.4
Consensus LogP
3.06
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.55
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
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)
-1.86
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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