CAS RN: 97315-18-9
3-tert-Butyldimethylsiloxy-4-methoxybenzaldehyde
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260608 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS97315-18-9
- Purity/Analytical Methods: >99.0%
97315-18-9 / 3-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzaldehyde
Basic Information
CAS
97315-18-9
Multi CAS
Yes
Molecular Formula
C14H22O3Si
Molecular Weight
266.410000
Exact Mass
266.133821
InChI
InChI=1S/C14H22O3Si/c1-14(2,3)18(5,6)17-13-9-11(10-15)7-8-12(13)16-4/h7-10H,1-6H3
InChIKey
RYTUEPCRTPXDLU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
76.21
TPSA
35.53
LogP / Solubility
WLOGP
3.89
MLOGP
3.43
XLogP3
3.89
Consensus LogP
3.74
Log S (ESOL)
-3.93
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.55
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.1
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.58
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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