CAS RN: 482627-84-9
5-(tert-Butyldiphenylsilyloxy)-1,3-benzenedimethanol
- Product code: SSC-155164
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥98%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
482627-84-9 / [3-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)phenyl]methanol
Basic Information
CAS
482627-84-9
Multi CAS
No
Molecular Formula
C24H28O3Si
Molecular Weight
392.600000
Exact Mass
392.180771
InChI
InChI=1S/C24H28O3Si/c1-24(2,3)28(22-10-6-4-7-11-22,23-12-8-5-9-13-23)27-21-15-19(17-25)14-20(16-21)18-26/h4-16,25-26H,17-18H2,1-3H3
InChIKey
TUGCKICZDBMMPM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
18
Fraction Csp3
0.25
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
116.54
TPSA
49.69
LogP / Solubility
WLOGP
3.61
MLOGP
3.2
XLogP3
3.61
Consensus LogP
3.47
Log S (ESOL)
-4.63
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.93
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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