CAS RN: 478169-68-5
Methyl 3-hydroxy-4-((triMethylsilyl)ethynyl)benzoate
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250627 | 100mg | Out of stock | Inquiry | ||
| Batchno.20250527 | 1g | In stock | Tianjin, Wuhan | Inquiry | |
| Batchno.20250921 | 250mg | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20250813 | 25mg / 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai, Shandong | 8-10 business days | Inquiry |
| Batchno.20250806 | 5g | In stock | Shenzhen, Tianjin | Inquiry |
- Product code: starshine_CAS478169-68-5
- Purity/Analytical Methods: >99.0%
478169-68-5 / methyl 3-hydroxy-4-(2-trimethylsilylethynyl)benzoate
Basic Information
CAS
478169-68-5
Multi CAS
No
Molecular Formula
C13H16O3Si
Molecular Weight
248.350000
Exact Mass
248.086871
InChI
InChI=1S/C13H16O3Si/c1-16-13(15)11-6-5-10(12(14)9-11)7-8-17(2,3)4/h5-6,9,14H,1-4H3
InChIKey
IGKWQEJDFVUAME-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.31
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
69.67
TPSA
46.53
LogP / Solubility
WLOGP
2.41
MLOGP
2.12
XLogP3
2.41
Consensus LogP
2.31
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
Class (SILICOS-IT)
Poorly 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)
-2.53
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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