![CAS 153172-30-6 4H-1,3-Dioxolo[4,5-c]pyrrole, 4-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]tetrahydro-2,2-dimethyl-5-(phenylmethyl)-, (3aR,4R,6aS)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/153172-30-6.gif)
CAS RN: 153172-30-6
4H-1,3-Dioxolo[4,5-c]pyrrole, 4-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]tetrahydro-2,2-dimethyl-5-(phenylmethyl)-, (3aR,4R,6aS)-
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.20260411 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS153172-30-6
- Purity/Analytical Methods: >99.0%
153172-30-6 / [(3aR,4R,6aS)-5-benzyl-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methoxy-tert-butyl-dimethylsilane
Basic Information
CAS
153172-30-6
Multi CAS
No
Molecular Formula
C21H35NO3Si
Molecular Weight
377.600000
Exact Mass
377.238621
SMILES
CC1(O[C@H]2CN([C@@H]([C@H]2O1)CO[Si](C)(C)C(C)(C)C)CC3=CC=CC=C3)C
InChI
InChI=1S/C21H35NO3Si/c1-20(2,3)26(6,7)23-15-17-19-18(24-21(4,5)25-19)14-22(17)13-16-11-9-8-10-12-16/h8-12,17-19H,13-15H2,1-7H3/t17-,18+,19-/m1/s1
InChIKey
QQIXCHPHMBTTIZ-CEXWTWQISA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.71
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
107.61
TPSA
30.93
LogP / Solubility
WLOGP
4.41
MLOGP
3.9
XLogP3
4.41
Consensus LogP
4.24
Log S (ESOL)
-4.8
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.84
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.38
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.89
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
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![CAS 153186-10-8 1,2-O-(1-methylethylidene)-4-C-[(phenylmethoxy)methyl]-3-O-(phenylmethyl)-L-Lyxofuranose molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/153186-10-8.gif)
