CAS RN: 219911-35-0
MPEP HYDROCHLORIDE
Product Availability
Choose a grade to view its available package options.
8 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251107 | 1ml | Out of stock | 8-10 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260615 | 100mg | Out of stock | Inquiry | ||
| Batchno.20250617 | 10mg | In stock | Tianjin, Wuhan | Inquiry | |
| Batchno.20250116 | 1g | Out of stock | Inquiry | ||
| Batchno.20250501 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20251023 | 250mg | Out of stock | Inquiry | ||
| Batchno.20251123 | 25mg | In stock | Wuhan | Inquiry | |
| Batchno.20251208 | 50mg | Out of stock | Inquiry |
- Product code: starshine_CAS219911-35-0
- Purity/Analytical Methods: >99.0%
219911-35-0 / 2-methyl-6-(2-phenylethynyl)pyridine;hydrochloride
Basic Information
CAS
219911-35-0
Multi CAS
No
Molecular Formula
C14H12ClN
Molecular Weight
229.700000
Exact Mass
229.065827
SMILES
CC1=NC(=CC=C1)C#CC2=CC=CC=C2.Cl
InChI
InChI=1S/C14H11N.ClH/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13;/h2-9H,1H3;1H
InChIKey
PKDHDJBNEKXCBI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
68.64
TPSA
12.89
LogP / Solubility
WLOGP
3.21
MLOGP
2.83
XLogP3
3.21
Consensus LogP
3.08
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
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)
-1.84
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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