![CAS 1523530-54-2 [(1R,2R,3S,4S)-2-(tert-butyldiMethylsilanyloxy)-3-fluoro-4-(4-Methoxybenzyloxy)cyclopentyl]Methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB02703978(1).gif)
CAS RN: 1523530-54-2
[(1R,2R,3S,4S)-2-(tert-butyldiMethylsilanyloxy)-3-fluoro-4-(4-Methoxybenzyloxy)cyclopentyl]Methanol
- Product code: SSC-062108
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: 0.1g
- 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 |
|---|---|---|---|---|
| 0.1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1523530-54-2 / [(1R,2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-4-[(4-methoxyphenyl)methoxy]cyclopentyl]methanol
Basic Information
CAS
1523530-54-2
Multi CAS
No
Molecular Formula
C20H33FO4Si
Molecular Weight
384.600000
Exact Mass
384.213214
SMILES
CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](C[C@@H]([C@@H]1F)OCC2=CC=C(C=C2)OC)CO
InChI
InChI=1S/C20H33FO4Si/c1-20(2,3)26(5,6)25-19-15(12-22)11-17(18(19)21)24-13-14-7-9-16(23-4)10-8-14/h7-10,15,17-19,22H,11-13H2,1-6H3/t15-,17+,18+,19-/m1/s1
InChIKey
YIZSFSOJROHSQG-XGXHKWSGSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.7
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
1
Molar refractivity
103.73
TPSA
47.92
LogP / Solubility
WLOGP
4.32
MLOGP
3.82
XLogP3
4.32
Consensus LogP
4.15
Log S (ESOL)
-4.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.59
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
Yes
Log Kp (skin permeation)
-2
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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