CAS RN: 127047-71-6
3-((Tert-Butyldiphenylsilyl)Oxy)Propan-1-Ol
- Product code: SSC-034540
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
127047-71-6 / 3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol
Basic Information
CAS
127047-71-6
Multi CAS
No
Molecular Formula
C19H26O2Si
Molecular Weight
314.500000
Exact Mass
314.170207
SMILES
CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCCCO
InChI
InChI=1S/C19H26O2Si/c1-19(2,3)22(21-16-10-15-20,17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-14,20H,10,15-16H2,1-3H3
InChIKey
NZAGJZSHKTYYMN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
95.28
TPSA
29.46
LogP / Solubility
WLOGP
2.95
MLOGP
2.61
XLogP3
2.95
Consensus LogP
2.84
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.87
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
No
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
Yes
Synthetic Accessibility
2.5
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