CAS RN: 130222-84-3
5-O-TERT-BUTYLDIPHENYLSILYL-2,3-O-ISOPROPYLIDENE-D-LYXONO-1,4-LACTONE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260219 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS130222-84-3
- Purity/Analytical Methods: >99.0%
130222-84-3 / (3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
Basic Information
CAS
130222-84-3
Multi CAS
No
Molecular Formula
C24H30O5Si
Molecular Weight
426.600000
Exact Mass
426.186251
SMILES
CC1(O[C@@H]2[C@H](OC(=O)[C@@H]2O1)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)C
InChI
InChI=1S/C24H30O5Si/c1-23(2,3)30(17-12-8-6-9-13-17,18-14-10-7-11-15-18)26-16-19-20-21(22(25)27-19)29-24(4,5)28-20/h6-15,19-21H,16H2,1-5H3/t19-,20-,21-/m1/s1
InChIKey
DPXUCVYKYWELST-NJDAHSKKSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.46
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
117.28
TPSA
53.99
LogP / Solubility
WLOGP
3.01
MLOGP
2.67
XLogP3
3.01
Consensus LogP
2.9
Log S (ESOL)
-4.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.53
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)
-3.19
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
4.5
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