CAS RN: 83726-75-4
2-CHLORO-4-THIEN-2-YLPYRIMIDINE
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock1 grade group
- Product code: starshine_CAS83726-75-4
- Purity/Analytical Methods: >99.0%
83726-75-4 / 2-chloro-4-thiophen-2-ylpyrimidine
Basic Information
CAS
83726-75-4
Multi CAS
No
Molecular Formula
C8H5CLN2S
Molecular Weight
196.660000
Exact Mass
195.986197
InChI
InChI=1S/C8H5ClN2S/c9-8-10-4-3-6(11-8)7-2-1-5-12-7/h1-5H
InChIKey
DTDHCBGOLGIIOA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
50.36
TPSA
25.78
LogP / Solubility
WLOGP
2.86
MLOGP
2.52
XLogP3
2.5
Consensus LogP
2.63
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
SALVINORIN A
- CAS RN: 83729-01-5
- Product Code: starshine_CAS83729-01-5
- Purity/Analytical method: >99.0%
-
-
![CAS 83732-56-3 [1,4′-bipiperidine]-4′-carboxamide dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/83732-56-3.gif)
[1,4′-bipiperidine]-4′-carboxamide dihydrochloride
- CAS RN: 83732-56-3
- Product Code: SSC-191440
-
-
