![CAS 153341-58-3 2-CHLORO-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-C]PYRIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB4802453.gif)
CAS RN: 153341-58-3
2-CHLORO-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-C]PYRIDINE
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.20250518 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS153341-58-3
- Purity/Analytical Methods: >99.0%
153341-58-3 / 2-chloro-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
Basic Information
CAS
153341-58-3
Multi CAS
No
Molecular Formula
C6H7ClN2S
Molecular Weight
174.650000
Exact Mass
174.001847
SMILES
C1CNCC2=C1N=C(S2)Cl
InChI
InChI=1S/C6H7ClN2S/c7-6-9-4-1-2-8-3-5(4)10-6/h8H,1-3H2
InChIKey
ZVTIALAYYXGFTN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
42.53
TPSA
24.92
LogP / Solubility
WLOGP
1.44
MLOGP
1.27
XLogP3
1.4
Consensus LogP
1.37
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.99
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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