CAS RN: 1186195-60-7
MTEP
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.20260421 | 10mg / 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1186195-60-7
- Purity/Analytical Methods: >99.0%
1186195-60-7 / 2-methyl-4-(2-pyridin-3-ylethynyl)-1,3-thiazole;hydrochloride
MTEP hydrochloride | PW4B4S8XAB | RefChem:1090039
Basic Information
CAS
1186195-60-7
Multi CAS
Yes
Molecular Formula
C11H9ClN2S
Molecular Weight
236.720000
Exact Mass
236.017497
SMILES
CC1=NC(=CS1)C#CC2=CN=CC=C2.Cl
InChI
InChI=1S/C11H8N2S.ClH/c1-9-13-11(8-14-9)5-4-10-3-2-6-12-7-10;/h2-3,6-8H,1H3;1H
InChIKey
YCIOJDKGCWAHLR-UHFFFAOYSA-N
Synonyms
MTEP hydrochloride
PW4B4S8XAB
RefChem:1090039
MTEP (hydrochloride)
3-((2-methyl-1,3-thiazol-4-yl)ethynyl)pyridine hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
64.32
TPSA
25.78
LogP / Solubility
WLOGP
2.67
MLOGP
2.35
XLogP3
2.67
Consensus LogP
2.56
Log S (ESOL)
-3.53
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
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)
-2.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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