![CAS 40142-92-5 4-chlorobenzo[4,5]thieno[2,3-d]pyriMidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/40142-92-5.gif)
CAS RN: 40142-92-5
4-chlorobenzo[4,5]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.20250207 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS40142-92-5
- Purity/Analytical Methods: >99.0%
40142-92-5 / 4-chloro-[1]benzothiolo[2,3-d]pyrimidine
Basic Information
CAS
40142-92-5
Multi CAS
No
Molecular Formula
C10H5CLN2S
Molecular Weight
220.680000
Exact Mass
219.986197
InChI
InChI=1S/C10H5ClN2S/c11-9-8-6-3-1-2-4-7(6)14-10(8)13-5-12-9/h1-5H
InChIKey
XZLIYHJQECJFSZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
13
H-bond acceptors
3
Molar refractivity
59.93
TPSA
25.78
LogP / Solubility
WLOGP
3.5
MLOGP
3.08
XLogP3
3.9
Consensus LogP
3.49
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4
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)
-1.58
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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