![CAS 100928-03-8 1H-Indene-1-ethanol, 4-[[(1,1-diMethylethyl)diMethylsilyl]oxy]octahydro-β,7a-diMethyl-, (βS,1R,3aR,4S,7aR)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/100928-03-8.gif)
CAS RN: 100928-03-8
1H-Indene-1-ethanol, 4-[[(1,1-diMethylethyl)diMethylsilyl]oxy]octahydro-β,7a-diMethyl-, (βS,1R,3aR,4S,7aR)-
Product Availability
Choose a grade to view its available package options.
4 package records0 with current stock2 grade groups
- Product code: starshine_CAS100928-03-8
- Purity/Analytical Methods: >99.0%
100928-03-8 / (2S)-2-[(1R,3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-1-ol
C19H38O2Si | 2-(4-((tert-Butyldimethylsilyl)oxy)-7a-methyloctahydro-1H-inden-1-yl)propan-1-ol | 2-[4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-1-ol
Basic Information
CAS
100928-03-8
Multi CAS
Yes
Molecular Formula
C19H38O2Si
Molecular Weight
326.600000
Exact Mass
326.264107
SMILES
C[C@H](CO)[C@H]1CC[C@@H]2[C@@]1(CCC[C@@H]2O[Si](C)(C)C(C)(C)C)C
InChI
InChI=1S/C19H38O2Si/c1-14(13-20)15-10-11-16-17(9-8-12-19(15,16)5)21-22(6,7)18(2,3)4/h14-17,20H,8-13H2,1-7H3/t14-,15-,16+,17+,19-/m1/s1
InChIKey
DGEVWAPMMLVXQF-QLCXLMDBSA-N
Synonyms
C19H38O2Si
2-(4-((tert-Butyldimethylsilyl)oxy)-7a-methyloctahydro-1H-inden-1-yl)propan-1-ol
2-[4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-1-ol
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
96.49
TPSA
29.46
LogP / Solubility
WLOGP
5.22
MLOGP
4.61
XLogP3
5.22
Consensus LogP
5.02
Log S (ESOL)
-4.89
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.6
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
Customers Also Viewed
-
-
BETA-NADPH TETRA(CYCLOHEXYLAMMONIUM) SALT
- CAS RN: 100929-71-3
- Product Code: starshine_CAS100929-71-3
- Purity/Analytical method: >99.0%
-
PHE-ARG BETA-NAPHTHYLAMIDE DIHYDROCHLORIDE
- CAS RN: 100929-99-5
- Product Code: starshine_CAS100929-99-5
- Purity/Analytical method: >99.0%
-
SUBERYLDICHOLINE DICHLORIDE
- CAS RN: 100930-12-9
- Product Code: starshine_CAS100930-12-9
- Purity/Analytical method: >99.0%
-
8-Azabicyclo[3.2.1]octan-3-aMine, dihydrochloride, endo-
- CAS RN: 100937-00-6
- Product Code: SSC-001699
-
1,4-DIDEOXY-1,4-IMINO-D-ARABINITOL
- CAS RN: 100937-52-8
- Product Code: starshine_CAS100937-52-8
- Purity/Analytical method: >99.0%
.gif)
![CAS 100937-00-6 8-Azabicyclo[3.2.1]octan-3-aMine, dihydrochloride, endo- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/100937-00-6.gif)
.gif)