CAS RN: 481048-21-9
3-((2S,5S)-5-(3-((tert-butyldiphenylsilyl)oxy)propyl)-3-methylenetetrahydrofuran-2-yl)propan-1-ol
- Product code: SSC-155065
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 | Shanghai | Inquiry |
481048-21-9 / 3-[(2S,5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]propan-1-ol
Basic Information
CAS
481048-21-9
Multi CAS
Yes
Molecular Formula
C27H38O3Si
Molecular Weight
438.700000
Exact Mass
438.259022
InChI
InChI=1S/C27H38O3Si/c1-22-21-23(30-26(22)18-11-19-28)13-12-20-29-31(27(2,3)4,24-14-7-5-8-15-24)25-16-9-6-10-17-25/h5-10,14-17,23,26,28H,1,11-13,18-21H2,2-4H3/t23-,26-/m0/s1
InChIKey
JXVLJWBTAZZVKK-OZXSUGGESA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.48
Rotatable bonds
10
H-bond acceptors
3
H-bond donors
1
Molar refractivity
131.54
TPSA
38.69
LogP / Solubility
WLOGP
4.83
MLOGP
4.28
XLogP3
4.83
Consensus LogP
4.65
Log S (ESOL)
-5.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.72
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.97
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
3.5
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