![CAS 2387568-74-1 1H-Pyrrolizine-7a(5H)-methanol, 3-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]tetrahydro-, (3R,7aR)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2387568-74-1.gif)
CAS RN: 2387568-74-1
1H-Pyrrolizine-7a(5H)-methanol, 3-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]tetrahydro-, (3R,7aR)-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250618 | 100mg | Out of stock | Inquiry |
- Product code: starshine_CAS2387568-74-1
- Purity/Analytical Methods: >99.0%
2387568-74-1 / [(3R,8R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
Basic Information
CAS
2387568-74-1
Multi CAS
No
Molecular Formula
C15H31NO2Si
Molecular Weight
285.500000
Exact Mass
285.212406
SMILES
CC(C)(C)[Si](C)(C)OC[C@H]1CC[C@@]2(N1CCC2)CO
InChI
InChI=1S/C15H31NO2Si/c1-14(2,3)19(4,5)18-11-13-7-9-15(12-17)8-6-10-16(13)15/h13,17H,6-12H2,1-5H3/t13-,15-/m1/s1
InChIKey
UEZMBVPCOJWAER-UKRRQHHQSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
81.93
TPSA
32.7
LogP / Solubility
WLOGP
3
MLOGP
2.65
XLogP3
3
Consensus LogP
2.88
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.48
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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